- InChI
- InChI=1S/C38H74O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h18,25H,3-17,19-24,26-37H2,1-2H3/b25-18+
- InChI Key
- WWMRJCLIXZGJRE-XIEYBQDHSA-N
- Formula
- C38H74O2
- SMILES
-
CCCCCCCCC=CCCCCCCOC(=O)CCCCCCC
CCCCCCCCCCCCCC - Molecular Weight1
- 562.99
- 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° | 115.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -955.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 97.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.30 | kJ/mol | Joback Calculated Property |
| log10WS | -14.45 | Crippen Calculated Property | |
| logPoct/wat | 13.609 | Crippen Calculated Property | |
| McVol | 549.420 | ml/mol | McGowan Calculated Property |
| Pc | 439.87 | kPa | Joback Calculated Property |
| Inp | 3931.84 | NIST | |
| Tboil | 1149.29 | K | Joback Calculated Property |
| Tc | 1523.64 | K | Joback Calculated Property |
| Tfus | 585.10 | K | Joback Calculated Property |
| Vc | 2.167 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2064.62; 2249.29] | J/mol×K | [1149.29; 1523.64] | 
|
| Cp,gas | 2064.62 | J/mol×K | 1149.29 | Joback Calculated Property |
| Cp,gas | 2102.17 | J/mol×K | 1211.68 | Joback Calculated Property |
| Cp,gas | 2136.19 | J/mol×K | 1274.07 | Joback Calculated Property |
| Cp,gas | 2167.30 | J/mol×K | 1336.46 | Joback Calculated Property |
| Cp,gas | 2196.10 | J/mol×K | 1398.86 | Joback Calculated Property |
| Cp,gas | 2223.22 | J/mol×K | 1461.25 | Joback Calculated Property |
| Cp,gas | 2249.29 | J/mol×K | 1523.64 | Joback Calculated Property |
| η | [0.0000041; 0.0001421] | Pa×s | [585.10; 1149.29] |
|
| η | 0.0001421 | Pa×s | 585.10 | Joback Calculated Property |
| η | 0.0000522 | Pa×s | 679.13 | Joback Calculated Property |
| η | 0.0000245 | Pa×s | 773.16 | Joback Calculated Property |
| η | 0.0000135 | Pa×s | 867.19 | Joback Calculated Property |
| η | 0.0000084 | Pa×s | 961.23 | Joback Calculated Property |
| η | 0.0000057 | Pa×s | 1055.26 | Joback Calculated Property |
| η | 0.0000041 | Pa×s | 1149.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Docosanoic acid hexadec-7-enyl ester, Z.
Sources
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