- InChI
- InChI=1S/C23H42O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26-23(24)25-21-6-4-2/h2H,3,5-22H2,1H3
- InChI Key
- RQJRBMVHQIOHGG-UHFFFAOYSA-N
- Formula
- C23H42O3
- SMILES
- C#CCCOC(=O)OCCCCCCCCCCCCCCCCCC
- Molecular Weight1
- 366.58
- 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° | 26.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -603.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.22 | kJ/mol | Joback Calculated Property |
| log10WS | -8.17 | Crippen Calculated Property | |
| logPoct/wat | 7.424 | Crippen Calculated Property | |
| McVol | 339.640 | ml/mol | McGowan Calculated Property |
| Pc | 947.33 | kPa | Joback Calculated Property |
| Inp | [2529.00; 2529.00] |
|
|
| Inp | 2529.00 | NIST | |
| Inp | 2529.00 | NIST | |
| Tboil | 814.47 | K | Joback Calculated Property |
| Tc | 998.47 | K | Joback Calculated Property |
| Tfus | 490.33 | K | Joback Calculated Property |
| Vc | 1.327 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1070.44; 1173.55] | J/mol×K | [814.47; 998.47] |
|
| Cp,gas | 1070.44 | J/mol×K | 814.47 | Joback Calculated Property |
| Cp,gas | 1090.22 | J/mol×K | 845.14 | Joback Calculated Property |
| Cp,gas | 1108.92 | J/mol×K | 875.80 | Joback Calculated Property |
| Cp,gas | 1126.58 | J/mol×K | 906.47 | Joback Calculated Property |
| Cp,gas | 1143.22 | J/mol×K | 937.14 | Joback Calculated Property |
| Cp,gas | 1158.86 | J/mol×K | 967.80 | Joback Calculated Property |
| Cp,gas | 1173.55 | J/mol×K | 998.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-yn-1-yl octadecyl ester.
Sources
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