- InChI
- InChI=1S/C21H40O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-21(22)24-20(2)3/h2,4-19H2,1,3H3
- InChI Key
- NWBQIQOVPQVSKK-UHFFFAOYSA-N
- Formula
- C21H40O3
- SMILES
- C=C(C)OC(=O)OCCCCCCCCCCCCCCCCC
- Molecular Weight1
- 340.54
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -133.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -738.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.32 | kJ/mol | Joback Calculated Property |
| log10WS | -7.89 | Crippen Calculated Property | |
| logPoct/wat | 7.545 | Crippen Calculated Property | |
| McVol | 315.760 | ml/mol | McGowan Calculated Property |
| Pc | 1002.71 | kPa | Joback Calculated Property |
| Inp | 2287.00 | NIST | |
| Tboil | 775.15 | K | Joback Calculated Property |
| Tc | 952.83 | K | Joback Calculated Property |
| Tfus | 405.10 | K | Joback Calculated Property |
| Vc | 1.236 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [975.84; 1078.32] | J/mol×K | [775.15; 952.83] | 
|
| Cp,gas | 975.84 | J/mol×K | 775.15 | Joback Calculated Property |
| Cp,gas | 995.33 | J/mol×K | 804.76 | Joback Calculated Property |
| Cp,gas | 1013.83 | J/mol×K | 834.38 | Joback Calculated Property |
| Cp,gas | 1031.36 | J/mol×K | 863.99 | Joback Calculated Property |
| Cp,gas | 1047.93 | J/mol×K | 893.60 | Joback Calculated Property |
| Cp,gas | 1063.58 | J/mol×K | 923.22 | Joback Calculated Property |
| Cp,gas | 1078.32 | J/mol×K | 952.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, heptadecyl prop-1-en-2-yl ester.
Sources
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