- InChI
- InChI=1S/C18H32O3/c1-3-5-7-8-9-10-11-12-13-14-15-17-21-18(19)20-16-6-4-2/h3,5,7-17H2,1-2H3
- InChI Key
- IGWMPWKDXFOATI-UHFFFAOYSA-N
- Formula
- C18H32O3
- SMILES
- CC#CCOC(=O)OCCCCCCCCCCCCC
- Molecular Weight1
- 296.44
- 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 | 0.8580 | Relay (1.0) Calculated Property | |
| ΔfG° | -35.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -619.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.474 | Crippen Calculated Property | |
| McVol | 269.190 | ml/mol | McGowan Calculated Property |
| Pc | 1315.61 | kPa | Joback Calculated Property |
| Inp | [2129.00; 2129.00] |
|
|
| Inp | 2129.00 | NIST | |
| Inp | 2129.00 | NIST | |
| Tboil | 590.71 | K | Relay (1.0) Calculated Property |
| Tc | 757.62 | K | Relay (1.0) Calculated Property |
| Tfus | 291.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.018 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [777.65; 872.88] | J/mol×K | [718.95; 899.68] |
|
| Cp,gas | 777.65 | J/mol×K | 718.95 | Joback Calculated Property |
| Cp,gas | 795.66 | J/mol×K | 749.07 | Joback Calculated Property |
| Cp,gas | 812.81 | J/mol×K | 779.19 | Joback Calculated Property |
| Cp,gas | 829.09 | J/mol×K | 809.32 | Joback Calculated Property |
| Cp,gas | 844.52 | J/mol×K | 839.44 | Joback Calculated Property |
| Cp,gas | 859.12 | J/mol×K | 869.56 | Joback Calculated Property |
| Cp,gas | 872.88 | J/mol×K | 899.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-2-yn-1-yl tridecyl ester.
Sources
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