- InChI
- InChI=1S/C22H40O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-22(23)24-20-6-4-2/h2H,3,5-21H2,1H3
- InChI Key
- PFUHYDIGRZEJFJ-UHFFFAOYSA-N
- Formula
- C22H40O3
- SMILES
- C#CCCOC(=O)OCCCCCCCCCCCCCCCCC
- Molecular Weight1
- 352.55
- 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° | 18.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -582.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.99 | kJ/mol | Joback Calculated Property |
| log10WS | -7.75 | Crippen Calculated Property | |
| logPoct/wat | 7.034 | Crippen Calculated Property | |
| McVol | 325.550 | ml/mol | McGowan Calculated Property |
| Pc | 1005.89 | kPa | Joback Calculated Property |
| Inp | [2429.00; 2429.00] |
|
|
| Inp | 2429.00 | NIST | |
| Inp | 2429.00 | NIST | |
| Tboil | 791.59 | K | Joback Calculated Property |
| Tc | 972.33 | K | Joback Calculated Property |
| Tfus | 479.06 | K | Joback Calculated Property |
| Vc | 1.272 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1008.86; 1110.12] | J/mol×K | [791.59; 972.33] |
|
| Cp,gas | 1008.86 | J/mol×K | 791.59 | Joback Calculated Property |
| Cp,gas | 1028.18 | J/mol×K | 821.71 | Joback Calculated Property |
| Cp,gas | 1046.50 | J/mol×K | 851.84 | Joback Calculated Property |
| Cp,gas | 1063.82 | J/mol×K | 881.96 | Joback Calculated Property |
| Cp,gas | 1080.19 | J/mol×K | 912.09 | Joback Calculated Property |
| Cp,gas | 1095.61 | J/mol×K | 942.21 | Joback Calculated Property |
| Cp,gas | 1110.12 | J/mol×K | 972.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-yn-1-yl heptadecyl ester.
Sources
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