- 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
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 226.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -76.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.10 | kJ/mol | Joback Calculated Property |
| log10WS | -7.80 | Crippen Calculated Property | |
| logPoct/wat | 5.915 | Crippen Calculated Property | |
| McVol | 271.090 | ml/mol | McGowan Calculated Property |
| Pc | 1711.78 | kPa | Joback Calculated Property |
| Inp | 3113.00 | NIST | |
| Tboil | 891.93 | K | Joback Calculated Property |
| Tc | 1136.45 | K | Joback Calculated Property |
| Tfus | 525.43 | K | Joback Calculated Property |
| Vc | 1.024 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [814.24; 886.68] | J/mol×K | [891.93; 1136.45] | 
|
| Cp,gas | 814.24 | J/mol×K | 891.93 | Joback Calculated Property |
| Cp,gas | 829.55 | J/mol×K | 932.68 | Joback Calculated Property |
| Cp,gas | 843.45 | J/mol×K | 973.44 | Joback Calculated Property |
| Cp,gas | 856.01 | J/mol×K | 1014.19 | Joback Calculated Property |
| Cp,gas | 867.35 | J/mol×K | 1054.95 | Joback Calculated Property |
| Cp,gas | 877.54 | J/mol×K | 1095.70 | Joback Calculated Property |
| Cp,gas | 886.68 | J/mol×K | 1136.45 | Joback Calculated Property |
| η | [0.0000536; 0.0004953] | Pa×s | [525.43; 891.93] |
|
| η | 0.0004953 | Pa×s | 525.43 | Joback Calculated Property |
| η | 0.0002819 | Pa×s | 586.51 | Joback Calculated Property |
| η | 0.0001785 | Pa×s | 647.60 | Joback Calculated Property |
| η | 0.0001223 | Pa×s | 708.68 | Joback Calculated Property |
| η | 0.0000890 | Pa×s | 769.76 | Joback Calculated Property |
| η | 0.0000678 | Pa×s | 830.85 | Joback Calculated Property |
| η | 0.0000536 | Pa×s | 891.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 4-biphenyl ester.
Sources
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