- InChI
- InChI=1S/C23H22O2/c1-2-3-7-18-10-12-21(13-11-18)23(24)25-22-16-14-20(15-17-22)19-8-5-4-6-9-19/h4-6,8-17H,2-3,7H2,1H3
- InChI Key
- LPTPHOTZYYIPFH-UHFFFAOYSA-N
- Formula
- C23H22O2
- SMILES
-
CCCCc1ccc(C(=O)Oc2ccc(-c3ccccc
3)cc2)cc1 - Molecular Weight1
- 330.42
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.8243 | Relay (1.0) Calculated Property | |
| ΔfG° | 150.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -144.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.915 | Crippen Calculated Property | |
| McVol | 271.090 | ml/mol | McGowan Calculated Property |
| Pc | 1655.15 | kPa | Joback Calculated Property |
| Inp | 3113.00 | NIST | |
| Tboil | 710.56 | K | Relay (1.0) Calculated Property |
| Tc | 971.99 | K | Relay (1.0) Calculated Property |
| Tfus | 352.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.985 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [809.11; 881.28] | J/mol×K | [874.06; 1117.16] | 
|
| Cp,gas | 809.11 | J/mol×K | 874.06 | Joback Calculated Property |
| Cp,gas | 824.57 | J/mol×K | 914.58 | Joback Calculated Property |
| Cp,gas | 838.53 | J/mol×K | 955.09 | Joback Calculated Property |
| Cp,gas | 851.09 | J/mol×K | 995.61 | Joback Calculated Property |
| Cp,gas | 862.34 | J/mol×K | 1036.13 | Joback Calculated Property |
| Cp,gas | 872.38 | J/mol×K | 1076.64 | Joback Calculated Property |
| Cp,gas | 881.28 | J/mol×K | 1117.16 | Joback Calculated Property |
| η | [0.0000466; 0.0005690] | Pa×s | [495.60; 874.06] |
|
| η | 0.0005690 | Pa×s | 495.60 | Joback Calculated Property |
| η | 0.0002964 | Pa×s | 558.68 | Joback Calculated Property |
| η | 0.0001762 | Pa×s | 621.75 | Joback Calculated Property |
| η | 0.0001153 | Pa×s | 684.83 | Joback Calculated Property |
| η | 0.0000810 | Pa×s | 747.91 | Joback Calculated Property |
| η | 0.0000602 | Pa×s | 810.98 | Joback Calculated Property |
| η | 0.0000466 | Pa×s | 874.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 4-biphenyl ester.
Sources
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