- InChI
- InChI=1S/C26H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-28-26(27)24-22-20-8-6-4-2/h20,22H,3-19,21,23-25H2,1-2H3/b22-20+
- InChI Key
- SLEWGMIERWPGBS-LSDHQDQOSA-N
- Formula
- C26H50O2
- SMILES
-
CCCCC=CCC(=O)OCCCCCCCCCCCCCCCC
CC - Molecular Weight1
- 394.67
- 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° | 14.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -707.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.58 | kJ/mol | Joback Calculated Property |
| log10WS | -9.42 | Crippen Calculated Property | |
| logPoct/wat | 8.928 | Crippen Calculated Property | |
| McVol | 380.340 | ml/mol | McGowan Calculated Property |
| Pc | 764.79 | kPa | Joback Calculated Property |
| Inp | [2782.00; 2782.00] |
|
|
| Inp | 2782.00 | NIST | |
| Inp | 2782.00 | NIST | |
| Tboil | 874.73 | K | Joback Calculated Property |
| Tc | 1071.62 | K | Joback Calculated Property |
| Tfus | 449.86 | K | Joback Calculated Property |
| Vc | 1.496 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1259.27; 1375.17] | J/mol×K | [874.73; 1071.62] |
|
| Cp,gas | 1259.27 | J/mol×K | 874.73 | Joback Calculated Property |
| Cp,gas | 1281.50 | J/mol×K | 907.55 | Joback Calculated Property |
| Cp,gas | 1302.48 | J/mol×K | 940.36 | Joback Calculated Property |
| Cp,gas | 1322.28 | J/mol×K | 973.18 | Joback Calculated Property |
| Cp,gas | 1340.96 | J/mol×K | 1005.99 | Joback Calculated Property |
| Cp,gas | 1358.57 | J/mol×K | 1038.81 | Joback Calculated Property |
| Cp,gas | 1375.17 | J/mol×K | 1071.62 | Joback Calculated Property |
| η | [0.0000272; 0.0007748] | Pa×s | [449.86; 874.73] |
|
| η | 0.0007748 | Pa×s | 449.86 | Joback Calculated Property |
| η | 0.0003032 | Pa×s | 520.67 | Joback Calculated Property |
| η | 0.0001486 | Pa×s | 591.48 | Joback Calculated Property |
| η | 0.0000848 | Pa×s | 662.29 | Joback Calculated Property |
| η | 0.0000539 | Pa×s | 733.11 | Joback Calculated Property |
| η | 0.0000371 | Pa×s | 803.92 | Joback Calculated Property |
| η | 0.0000272 | Pa×s | 874.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Octenoic acid, octadecyl ester.
Sources
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