- InChI
- InChI=1S/C22H32O2/c1-3-5-6-7-8-9-10-11-12-13-14-19-24-22(23)21-17-15-20(4-2)16-18-21/h15-18H,3-12,19H2,1-2H3
- InChI Key
- PUNWFZUZTKEVJC-UHFFFAOYSA-N
- Formula
- C22H32O2
- SMILES
-
CCCCCCCCCCC#CCOC(=O)c1ccc(CC)c
c1 - Molecular Weight1
- 328.49
- 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 | 0.8937 | Relay (1.0) Calculated Property | |
| ΔfG° | 206.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -306.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.940 | Crippen Calculated Property | |
| McVol | 295.920 | ml/mol | McGowan Calculated Property |
| Pc | 1268.25 | kPa | Joback Calculated Property |
| Inp | 2527.10 | NIST | |
| Tboil | 627.76 | K | Relay (1.0) Calculated Property |
| Tc | 846.24 | K | Relay (1.0) Calculated Property |
| Tfus | 283.09 | K | Relay (1.0) Calculated Property |
| Vc | 1.086 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [895.64; 987.93] | J/mol×K | [819.71; 1023.51] | 
|
| Cp,gas | 895.64 | J/mol×K | 819.71 | Joback Calculated Property |
| Cp,gas | 913.71 | J/mol×K | 853.68 | Joback Calculated Property |
| Cp,gas | 930.66 | J/mol×K | 887.64 | Joback Calculated Property |
| Cp,gas | 946.51 | J/mol×K | 921.61 | Joback Calculated Property |
| Cp,gas | 961.32 | J/mol×K | 955.58 | Joback Calculated Property |
| Cp,gas | 975.11 | J/mol×K | 989.54 | Joback Calculated Property |
| Cp,gas | 987.93 | J/mol×K | 1023.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylbenzoic acid, tridec-2-ynyl ester.
Sources
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