![C20h31No5 Heptany Acid, 3- Metroxy-5-[[([(1,1-Dadetylethylestyl Ester, [3s *)] - (9Ci) H301](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C20h31No5 Heptany Acid, 3- Methyl-4 - [[(1,1-Dadetylethylestylster, [3s *)] - (9Ci) H301 Featured Duab](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid.jpg)
C20h31No5 Heptany Acid, 3- Metroxy-5-[[([(1,1-Dadetylethylestyl Ester, [3s *)] - (9Ci) H301
| Cov Khoom Tseem Ceeb | Tus nqi | Yam tseem ceeb |
| Molecular hnyav | 365.46 | - |
| Boiling taw tes (kwv yees) | 504.1 ± 50.0 ° C | XOVXWM: 760 Torr |
| Ntom ntom (kwv yees) | 1.091 ± 0.06 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr |
| PKA (kwv yees) | 11.82 ± 0.46 | Feem ntau acidic temp: 25 ° C |
Canonical smiles o = c (1c = cc = cc = NC (c (O) CC (= O) OC (c) CC
Isomeric smiles [c @ h] ([c @@ h] (CC (NC (NC (NC (NC (NC (NC (CC) (CC) C
Tus hauv onei
Inchi = 1s / C20H31No5 / C1-6-14 (2) 18 (40) 8-15 / teev (23) H3, (H, 21,24) / T14-, 16 +, 18- / M0 / S1
Inchi tus yuam sij
Aztsbawjrolriq-lescradosa-n
| Cov khoom muaj |
| Kev muaj txuj Ci |
| Tshuaj |
| Ceev |
| Ncauj lus di ncauj |
| Cov qauv muaj feem xyuam |
| Thermal |
Kev muaj txuj Ci
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Bioconclivration qhov tseem ceeb | 616 | PH 1; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 617 | PHA 2; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 617 | PH 3; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 617 | PH 4; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 617 | PH 5; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 617 | p.c; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 617 | pH 7; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 617 | PH 8; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 616 | PH 9; Temp: 25 ° C | (1) ACD |
| Bioconclivration qhov tseem ceeb | 604 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Tshuaj
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Txhim hoom | 3450 | PH 1; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 3460 | PHA 2; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 3460 | PH 3; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 3460 | PH 4; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 3460 | PH 5; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 3460 | p.c; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 3460 | pH 7; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 3460 | PH 8; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 3450 | PH 9; Temp: 25 ° C | (1) ACD |
| Txhim hoom | 3390 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | 3.97 | PH 1; Temp: 25 ° C | (1) ACD |
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| logd | 3.97 | PHA 2; Temp: 25 ° C | (1) ACD |
| logd | 3.97 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 3.97 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | 3.97 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | 3.97 | p.c; Temp: 25 ° C | (1) ACD |
| logd | 3.97 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | 3.97 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 3.97 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 3.96 | pH 10; Temp: 25 ° C | (1) ACD |
| lub cim | 3.974 ± 0.543 | Temp: 25 ° C | (1) ACD |
| Kev ua yeeb yam loj solubility solubility | 0.062 g / l | Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.062 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.062 g / l | PHA 2; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.062 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.062 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.062 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.062 g / l | p.c; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.062 g / l | pH 7; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.062 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.062 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.062 g / l | pH 10; Temp: 25 ° C | (1) ACD |
| Loj solubility | 0.062 g / l | Unbuffered dej pH 6.99; Temp: 25 ° C | (1) ACD |
| Molar intrinsic solubility | 1.7 x 10-4 mol / l | Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.7 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.7 x 10-4 mol / l | PHA 2; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.7 x 10-4 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.7 x 10-4 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.7 x 10-4 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.7 x 10-4 mol / l | p.c; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.7 x 10-4 mol / l | pH 7; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.7 x 10-4 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.7 x 10-4 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Raug solubility | 1.7 x 10-4 mol / l | pH 10; Temp: 25 ° C | (1) ACD |
| Raug solubility | 1.7 x 10-4 mol / l | Unbuffered dej pH 6.99; Temp: 25 ° C | (1) ACD |
| Molecular hnyav | 365.46 | ||
| pa kua muag | 11.82 ± 0.46 | Feem ntau acidic temp: 25 ° C | (1) ACD |
| pa kua muag | -1.56 ± 0.70 | Feem ntau cov sam luam: 25 ° C | (1) ACD |
| Vapor siab | 5.56 x 10-11 torr | Temp: 25 ° C | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Ceev
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Ceev | 1.091 ± 0.06 g / cm3 | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
| Cov pob zeb ntim | 334.7 ± 3.0 cm3 / mol | Temp: 20 ° C; XOVXWM: 760 Torr | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Ncauj lus di ncauj
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Dawb doatable bonds | 12 | (1) ACD | |
| H neeg txais | 6 | (1) ACD | |
| H pub dawb | 2 | (1) ACD | |
| H pub dawb / txais nyiaj | 8 | (1) ACD | |
| lub cim | 3.974 ± 0.543 | Temp: 25 ° C | (1) ACD |
| Molecular hnyav | 365.46 |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Cov qauv muaj feem xyuam
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Polar Thaj Chaw Thaj Chaw | 84.9 A2 | (1) ACD | |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Thermal
| Ntiag tug | Tus nqi | Yam tseem ceeb | Lub hauv paus |
| Kub taw tes | 504.1 ± 50.0 ° C | XOVXWM: 760 Torr | (1) ACD |
| Enthalpy ntawm vaporization | 81.44 ± 3.0 KJ / MOL | XOVXWM: 760 Torr | (1) ACD |
| Flash point | 258.6 ± 30.1 ° C | (1) ACD |
(1) Xam siv cov kev txhim kho me me (ACD / Labs) software v11.02 (© 1994-2023 ACD / Labs)
Spectra muaj
1h nmr
13C NMR
| Txoj cai | Cov lus sib haum | Lub hauv paus |
| H301 | TOXIC yog tias nqos | Koom Haum Kev Koom Tes Hauv Tebchaws Europe (cha) Kev Qhia Tawm - Tshaj Tawm Cov Lus Qhia thiab Cov Ntawv Cim Cov Ntawv Sau Npe - Cov Ntawv Qhia Cov Ntawv Sau Npe - Tshaj Tawm Cov Ntawv Qhia Kev Kawm Ntawv - Cov Ntawv Qhia Loj |
Sau koj cov lus ntawm no thiab xa mus rau peb
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