- InChI
- InChI=1S/C20H36O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-23-20(21)22-18-6-4-2/h3,5,7-19H2,1-2H3
- InChI Key
- WBJRILGOHMFYFZ-UHFFFAOYSA-N
- Formula
- C20H36O3
- SMILES
- CC#CCOC(=O)OCCCCCCCCCCCCCCC
- Molecular Weight1
- 324.50
- 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° | -18.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -560.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.83 | kJ/mol | Joback Calculated Property |
| log10WS | -6.92 | Crippen Calculated Property | |
| logPoct/wat | 6.254 | Crippen Calculated Property | |
| McVol | 297.370 | ml/mol | McGowan Calculated Property |
| Pc | 1149.87 | kPa | Joback Calculated Property |
| Inp | [2328.00; 2328.00] |
|
|
| Inp | 2328.00 | NIST | |
| Inp | 2328.00 | NIST | |
| Tboil | 764.71 | K | Joback Calculated Property |
| Tc | 946.72 | K | Joback Calculated Property |
| Tfus | 515.65 | K | Joback Calculated Property |
| Vc | 1.159 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [895.17; 993.48] | J/mol×K | [764.71; 946.72] |
|
| Cp,gas | 895.17 | J/mol×K | 764.71 | Joback Calculated Property |
| Cp,gas | 913.91 | J/mol×K | 795.05 | Joback Calculated Property |
| Cp,gas | 931.69 | J/mol×K | 825.38 | Joback Calculated Property |
| Cp,gas | 948.53 | J/mol×K | 855.72 | Joback Calculated Property |
| Cp,gas | 964.42 | J/mol×K | 886.05 | Joback Calculated Property |
| Cp,gas | 979.40 | J/mol×K | 916.39 | Joback Calculated Property |
| Cp,gas | 993.48 | J/mol×K | 946.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-2-yn-1-yl pentadecyl ester.
Sources
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