- InChI
- InChI=1S/C21H38O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21(22)23-19-6-4-2/h2H,3,5-20H2,1H3
- InChI Key
- YJJKOIIBNOQPBM-UHFFFAOYSA-N
- Formula
- C21H38O3
- SMILES
- C#CCCOC(=O)OCCCCCCCCCCCCCCCC
- Molecular Weight1
- 338.52
- 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° | 10.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -561.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.76 | kJ/mol | Joback Calculated Property |
| log10WS | -7.34 | Crippen Calculated Property | |
| logPoct/wat | 6.644 | Crippen Calculated Property | |
| McVol | 311.460 | ml/mol | McGowan Calculated Property |
| Pc | 1070.06 | kPa | Joback Calculated Property |
| Inp | [2335.00; 2335.00] |
|
|
| Inp | 2335.00 | NIST | |
| Inp | 2335.00 | NIST | |
| Tboil | 768.71 | K | Joback Calculated Property |
| Tc | 946.93 | K | Joback Calculated Property |
| Tfus | 467.79 | K | Joback Calculated Property |
| Vc | 1.216 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [948.11; 1047.57] | J/mol×K | [768.71; 946.93] |
|
| Cp,gas | 948.11 | J/mol×K | 768.71 | Joback Calculated Property |
| Cp,gas | 967.01 | J/mol×K | 798.41 | Joback Calculated Property |
| Cp,gas | 984.94 | J/mol×K | 828.12 | Joback Calculated Property |
| Cp,gas | 1001.95 | J/mol×K | 857.82 | Joback Calculated Property |
| Cp,gas | 1018.04 | J/mol×K | 887.52 | Joback Calculated Property |
| Cp,gas | 1033.24 | J/mol×K | 917.22 | Joback Calculated Property |
| Cp,gas | 1047.57 | J/mol×K | 946.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-yn-1-yl hexadecyl ester.
Sources
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