- InChI
- InChI=1S/C23H34O2/c1-2-3-4-5-6-7-8-9-10-11-15-21-25-23(24)20-16-19-22-17-13-12-14-18-22/h12-14,17-18H,2-10,16,19-21H2,1H3
- InChI Key
- PRODGKKCTFMQHQ-UHFFFAOYSA-N
- Formula
- C23H34O2
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCCc1ccccc
1 - Molecular Weight1
- 342.52
- 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 | 0.8974 | Relay (1.0) Calculated Property | |
| ΔfG° | 147.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -320.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.087 | Crippen Calculated Property | |
| McVol | 310.010 | ml/mol | McGowan Calculated Property |
| Pc | 1164.84 | kPa | Joback Calculated Property |
| Inp | [2638.00; 2638.00] |
|
|
| Inp | 2638.00 | NIST | |
| Inp | 2638.00 | NIST | |
| Tboil | 642.24 | K | Relay (1.0) Calculated Property |
| Tc | 856.27 | K | Relay (1.0) Calculated Property |
| Tfus | 289.13 | K | Relay (1.0) Calculated Property |
| Vc | 1.140 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [948.26; 1042.11] | J/mol×K | [819.74; 1020.20] |
|
| Cp,gas | 948.26 | J/mol×K | 819.74 | Joback Calculated Property |
| Cp,gas | 966.73 | J/mol×K | 853.15 | Joback Calculated Property |
| Cp,gas | 984.00 | J/mol×K | 886.56 | Joback Calculated Property |
| Cp,gas | 1000.13 | J/mol×K | 919.97 | Joback Calculated Property |
| Cp,gas | 1015.16 | J/mol×K | 953.38 | Joback Calculated Property |
| Cp,gas | 1029.14 | J/mol×K | 986.79 | Joback Calculated Property |
| Cp,gas | 1042.11 | J/mol×K | 1020.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 4-phenyl-, tridec-2-yn-1-yl ester.
Sources
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