- InChI
- InChI=1S/C17H30O3/c1-3-5-7-8-9-10-11-12-13-14-16-20-17(18)19-15-6-4-2/h2H,3,5-16H2,1H3
- InChI Key
- MSOFUMVSPAGSSO-UHFFFAOYSA-N
- Formula
- C17H30O3
- SMILES
- C#CCCOC(=O)OCCCCCCCCCCCC
- Molecular Weight1
- 282.42
- 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° | -23.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -479.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.86 | kJ/mol | Joback Calculated Property |
| log10WS | -5.66 | Crippen Calculated Property | |
| logPoct/wat | 5.084 | Crippen Calculated Property | |
| McVol | 255.100 | ml/mol | McGowan Calculated Property |
| Pc | 1399.59 | kPa | Joback Calculated Property |
| Inp | [1939.00; 1939.00] |
|
|
| Inp | 1939.00 | NIST | |
| Inp | 1939.00 | NIST | |
| Tboil | 677.19 | K | Joback Calculated Property |
| Tc | 851.41 | K | Joback Calculated Property |
| Tfus | 422.71 | K | Joback Calculated Property |
| Vc | 0.992 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [714.95; 806.82] | J/mol×K | [677.19; 851.41] |
|
| Cp,gas | 714.95 | J/mol×K | 677.19 | Joback Calculated Property |
| Cp,gas | 732.17 | J/mol×K | 706.23 | Joback Calculated Property |
| Cp,gas | 748.61 | J/mol×K | 735.26 | Joback Calculated Property |
| Cp,gas | 764.28 | J/mol×K | 764.30 | Joback Calculated Property |
| Cp,gas | 779.20 | J/mol×K | 793.34 | Joback Calculated Property |
| Cp,gas | 793.37 | J/mol×K | 822.37 | Joback Calculated Property |
| Cp,gas | 806.82 | J/mol×K | 851.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-yn-1-yl dodecyl ester.
Sources
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