- InChI
- InChI=1S/C23H34O2/c1-3-5-6-7-8-9-10-11-12-13-17-20-25-23(24)22(4-2)21-18-15-14-16-19-21/h14-16,18-19,22H,3-12,20H2,1-2H3
- InChI Key
- NIXUUFIWTOJRBJ-UHFFFAOYSA-N
- Formula
- C23H34O2
- SMILES
-
CCCCCCCCCCC#CCOC(=O)C(CC)c1ccc
cc1 - Molecular Weight1
- 342.51
- 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 | 0.8355 | Relay (1.0) Calculated Property | |
| ΔfG° | 221.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -326.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.258 | Crippen Calculated Property | |
| McVol | 310.010 | ml/mol | McGowan Calculated Property |
| Pc | 1204.80 | kPa | Joback Calculated Property |
| Inp | [2491.00; 2491.00] |
|
|
| Inp | 2491.00 | NIST | |
| Inp | 2491.00 | NIST | |
| Tboil | 622.88 | K | Relay (1.0) Calculated Property |
| Tc | 857.51 | K | Relay (1.0) Calculated Property |
| Tfus | 309.81 | K | Relay (1.0) Calculated Property |
| Vc | 1.111 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [956.41; 1050.53] | J/mol×K | [837.17; 1042.07] |
|
| Cp,gas | 956.41 | J/mol×K | 837.17 | Joback Calculated Property |
| Cp,gas | 974.91 | J/mol×K | 871.32 | Joback Calculated Property |
| Cp,gas | 992.22 | J/mol×K | 905.47 | Joback Calculated Property |
| Cp,gas | 1008.39 | J/mol×K | 939.62 | Joback Calculated Property |
| Cp,gas | 1023.46 | J/mol×K | 973.77 | Joback Calculated Property |
| Cp,gas | 1037.49 | J/mol×K | 1007.92 | Joback Calculated Property |
| Cp,gas | 1050.53 | J/mol×K | 1042.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, tridec-2-yn-1-yl ester.
Sources
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