- 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/h3,5,7-22H2,1-2H3
- InChI Key
- GBLKDTMJEXEGIJ-UHFFFAOYSA-N
- Formula
- C23H42O3
- SMILES
- CC#CCOC(=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° | 6.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -622.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.51 | 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 | 954.37 | kPa | Joback Calculated Property |
| Inp | [2618.00; 2618.00] |
|
|
| Inp | 2618.00 | NIST | |
| Inp | 2618.00 | NIST | |
| Tboil | 833.35 | K | Joback Calculated Property |
| Tc | 1022.11 | K | Joback Calculated Property |
| Tfus | 549.46 | K | Joback Calculated Property |
| Vc | 1.327 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1078.31; 1180.82] | J/mol×K | [833.35; 1022.11] |
|
| Cp,gas | 1078.31 | J/mol×K | 833.35 | Joback Calculated Property |
| Cp,gas | 1098.17 | J/mol×K | 864.81 | Joback Calculated Property |
| Cp,gas | 1116.89 | J/mol×K | 896.27 | Joback Calculated Property |
| Cp,gas | 1134.49 | J/mol×K | 927.73 | Joback Calculated Property |
| Cp,gas | 1151.00 | J/mol×K | 959.19 | Joback Calculated Property |
| Cp,gas | 1166.43 | J/mol×K | 990.65 | Joback Calculated Property |
| Cp,gas | 1180.82 | J/mol×K | 1022.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-2-yn-1-yl octadecyl ester.
Sources
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