- InChI
- InChI=1S/C20H36O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-23-20(21)22-18-6-4-2/h2H,3,5-19H2,1H3
- InChI Key
- WITDLWSORRHZDB-UHFFFAOYSA-N
- Formula
- C20H36O3
- SMILES
- C#CCCOC(=O)OCCCCCCCCCCCCCCC
- Molecular Weight1
- 324.50
- 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 | 0.9423 | Relay (... Calculated Property | |
| ΔfG° | 1.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -670.25 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 54.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.51 | kJ/mol | Relay (... Calculated Property |
| IE | 9.85 | eV | Relay (... Calculated Property |
| log10WS | -6.69 | Relay (... Calculated Property | |
| logPoct/wat | 6.254 | Crippen Calculated Property | |
| McVol | 297.370 | ml/mol | McGowan Calculated Property |
| Pc | 1140.57 | kPa | Joback Calculated Property |
| Inp | [2237.00; 2237.00] |
|
|
| Inp | 2237.00 | NIST | |
| Inp | 2237.00 | NIST | |
| Tboil | 630.92 | K | Relay (... Calculated Property |
| Tc | 772.03 | K | Relay (... Calculated Property |
| Tfus | 298.73 | K | Relay (... Calculated Property |
| Vc | 1.122 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [888.27; 985.93] | J/mol×K | [745.83; 922.19] |
|
| Cp,gas | 888.27 | J/mol×K | 745.83 | Joback Calculated Property |
| Cp,gas | 906.75 | J/mol×K | 775.22 | Joback Calculated Property |
| Cp,gas | 924.32 | J/mol×K | 804.62 | Joback Calculated Property |
| Cp,gas | 941.01 | J/mol×K | 834.01 | Joback Calculated Property |
| Cp,gas | 956.82 | J/mol×K | 863.40 | Joback Calculated Property |
| Cp,gas | 971.79 | J/mol×K | 892.80 | Joback Calculated Property |
| Cp,gas | 985.93 | J/mol×K | 922.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-3-yn-1-yl pentadecyl ester.
Sources
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