- InChI
- InChI=1S/C19H34O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-22-19(20)21-17-6-4-2/h3,5,7-18H2,1-2H3
- InChI Key
- YDESNQMXTHNGAK-UHFFFAOYSA-N
- Formula
- C19H34O3
- SMILES
- CC#CCOC(=O)OCCCCCCCCCCCCCC
- Molecular Weight1
- 310.47
- 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 | 0.8932 | Relay (1.0) Calculated Property | |
| ΔfG° | -27.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -640.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.864 | Crippen Calculated Property | |
| McVol | 283.280 | ml/mol | McGowan Calculated Property |
| Pc | 1228.56 | kPa | Joback Calculated Property |
| Inp | [2227.00; 2227.00] |
|
|
| Inp | 2227.00 | NIST | |
| Inp | 2227.00 | NIST | |
| Tboil | 599.27 | K | Relay (1.0) Calculated Property |
| Tc | 767.04 | K | Relay (1.0) Calculated Property |
| Tfus | 296.19 | K | Relay (1.0) Calculated Property |
| Vc | 1.073 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [835.90; 932.72] | J/mol×K | [741.83; 922.92] |
|
| Cp,gas | 835.90 | J/mol×K | 741.83 | Joback Calculated Property |
| Cp,gas | 854.28 | J/mol×K | 772.01 | Joback Calculated Property |
| Cp,gas | 871.75 | J/mol×K | 802.19 | Joback Calculated Property |
| Cp,gas | 888.32 | J/mol×K | 832.37 | Joback Calculated Property |
| Cp,gas | 903.99 | J/mol×K | 862.56 | Joback Calculated Property |
| Cp,gas | 918.79 | J/mol×K | 892.74 | Joback Calculated Property |
| Cp,gas | 932.72 | J/mol×K | 922.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, but-2-yn-1-yl tetradecyl ester.
Sources
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