- InChI
- InChI=1S/C17H30O3/c1-3-5-7-8-9-10-11-12-13-14-16-20-17(18)19-15-6-4-2/h3,5,7-16H2,1-2H3
- InChI Key
- QPKGOSCWTKETIL-UHFFFAOYSA-N
- Formula
- C17H30O3
- SMILES
- CC#CCOC(=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° | -43.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -498.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.15 | 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 | 1412.25 | kPa | Joback Calculated Property |
| Inp | [2029.00; 2029.00] |
|
|
| Inp | 2029.00 | NIST | |
| Inp | 2029.00 | NIST | |
| Tboil | 696.07 | K | Joback Calculated Property |
| Tc | 876.96 | K | Joback Calculated Property |
| Tfus | 481.84 | K | Joback Calculated Property |
| Vc | 0.992 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [720.50; 813.98] | J/mol×K | [696.07; 876.96] |
|
| Cp,gas | 720.50 | J/mol×K | 696.07 | Joback Calculated Property |
| Cp,gas | 738.13 | J/mol×K | 726.22 | Joback Calculated Property |
| Cp,gas | 754.92 | J/mol×K | 756.37 | Joback Calculated Property |
| Cp,gas | 770.90 | J/mol×K | 786.51 | Joback Calculated Property |
| Cp,gas | 786.06 | J/mol×K | 816.66 | Joback Calculated Property |
| Cp,gas | 800.42 | J/mol×K | 846.81 | Joback Calculated Property |
| Cp,gas | 813.98 | J/mol×K | 876.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-2-yn-1-yl dodecyl ester.
Sources
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