- InChI
- InChI=1S/C20H38O2/c1-6-7-8-9-10-11-12-13-14-15-22-19(21)16-18(2)17-20(3,4)5/h13-14,18H,6-12,15-17H2,1-5H3/b14-13+
- InChI Key
- VTNXLIHCQGNOCF-BUHFOSPRSA-N
- Formula
- C20H38O2
- SMILES
-
CCCCCCCCC=CCOC(=O)CC(C)CC(C)(C
)C - Molecular Weight1
- 310.51
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -35.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -597.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.54 | kJ/mol | Joback Calculated Property |
| log10WS | -6.43 | Crippen Calculated Property | |
| logPoct/wat | 6.299 | Crippen Calculated Property | |
| McVol | 295.800 | ml/mol | McGowan Calculated Property |
| Pc | 1101.54 | kPa | Joback Calculated Property |
| Inp | [2034.00; 2034.00] |
|
|
| Inp | 2034.00 | NIST | |
| Inp | 2034.00 | NIST | |
| Tboil | 733.78 | K | Joback Calculated Property |
| Tc | 914.28 | K | Joback Calculated Property |
| Tfus | 369.66 | K | Joback Calculated Property |
| Vc | 1.143 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [887.48; 991.09] | J/mol×K | [733.78; 914.28] |
|
| Cp,gas | 887.48 | J/mol×K | 733.78 | Joback Calculated Property |
| Cp,gas | 907.07 | J/mol×K | 763.86 | Joback Calculated Property |
| Cp,gas | 925.67 | J/mol×K | 793.95 | Joback Calculated Property |
| Cp,gas | 943.33 | J/mol×K | 824.03 | Joback Calculated Property |
| Cp,gas | 960.09 | J/mol×K | 854.12 | Joback Calculated Property |
| Cp,gas | 975.99 | J/mol×K | 884.20 | Joback Calculated Property |
| Cp,gas | 991.09 | J/mol×K | 914.28 | Joback Calculated Property |
| η | [0.0000484; 0.0021217] | Pa×s | [369.66; 733.78] |
|
| η | 0.0021217 | Pa×s | 369.66 | Joback Calculated Property |
| η | 0.0007245 | Pa×s | 430.35 | Joback Calculated Property |
| η | 0.0003227 | Pa×s | 491.03 | Joback Calculated Property |
| η | 0.0001717 | Pa×s | 551.72 | Joback Calculated Property |
| η | 0.0001035 | Pa×s | 612.41 | Joback Calculated Property |
| η | 0.0000684 | Pa×s | 673.09 | Joback Calculated Property |
| η | 0.0000484 | Pa×s | 733.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, undec-2-en-1-yl ester.
Sources
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