- InChI
- InChI=1S/C18H32O3/c1-3-5-7-8-9-10-11-12-13-14-15-17-21-18(19)20-16-6-4-2/h2H,3,5-17H2,1H3
- InChI Key
- QEAAAYOSUFXKSP-UHFFFAOYSA-N
- Formula
- C18H32O3
- SMILES
- C#CCCOC(=O)OCCCCCCCCCCCCC
- Molecular Weight1
- 296.44
- 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° | -15.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -499.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.09 | kJ/mol | Joback Calculated Property |
| log10WS | -6.08 | Crippen Calculated Property | |
| logPoct/wat | 5.474 | Crippen Calculated Property | |
| McVol | 269.190 | ml/mol | McGowan Calculated Property |
| Pc | 1304.23 | kPa | Joback Calculated Property |
| Inp | [2039.00; 2039.00] |
|
|
| Inp | 2039.00 | NIST | |
| Inp | 2039.00 | NIST | |
| Tboil | 700.07 | K | Joback Calculated Property |
| Tc | 874.49 | K | Joback Calculated Property |
| Tfus | 433.98 | K | Joback Calculated Property |
| Vc | 1.048 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [771.61; 865.52] | J/mol×K | [700.07; 874.49] |
|
| Cp,gas | 771.61 | J/mol×K | 700.07 | Joback Calculated Property |
| Cp,gas | 789.26 | J/mol×K | 729.14 | Joback Calculated Property |
| Cp,gas | 806.09 | J/mol×K | 758.21 | Joback Calculated Property |
| Cp,gas | 822.12 | J/mol×K | 787.28 | Joback Calculated Property |
| Cp,gas | 837.36 | J/mol×K | 816.35 | Joback Calculated Property |
| Cp,gas | 851.82 | J/mol×K | 845.42 | Joback Calculated Property |
| Cp,gas | 865.52 | J/mol×K | 874.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-yn-1-yl tridecyl ester.
Sources
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