- 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/h3,5,7-21H2,1-2H3
- InChI Key
- FQINAGFWKLGLJC-UHFFFAOYSA-N
- Formula
- C22H40O3
- SMILES
- CC#CCOC(=O)OCCCCCCCCCCCCCCCCC
- Molecular Weight1
- 352.55
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9982 | Relay (1.0) Calculated Property | |
| ΔfG° | -1.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -704.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.034 | Crippen Calculated Property | |
| McVol | 325.550 | ml/mol | McGowan Calculated Property |
| Pc | 1013.59 | kPa | Joback Calculated Property |
| Inp | [2521.00; 2521.00] |
|
|
| Inp | 2521.00 | NIST | |
| Inp | 2521.00 | NIST | |
| Tboil | 621.71 | K | Relay (1.0) Calculated Property |
| Tc | 793.76 | K | Relay (1.0) Calculated Property |
| Tfus | 309.27 | K | Relay (1.0) Calculated Property |
| Vc | 1.241 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1016.45; 1117.57] | J/mol×K | [810.47; 996.26] |
|
| Cp,gas | 1016.45 | J/mol×K | 810.47 | Joback Calculated Property |
| Cp,gas | 1035.92 | J/mol×K | 841.44 | Joback Calculated Property |
| Cp,gas | 1054.32 | J/mol×K | 872.40 | Joback Calculated Property |
| Cp,gas | 1071.66 | J/mol×K | 903.37 | Joback Calculated Property |
| Cp,gas | 1087.97 | J/mol×K | 934.33 | Joback Calculated Property |
| Cp,gas | 1103.27 | J/mol×K | 965.30 | Joback Calculated Property |
| Cp,gas | 1117.57 | J/mol×K | 996.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-2-yn-1-yl heptadecyl ester.
Sources
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