- InChI
- InChI=1S/C23H32O2/c1-2-3-4-17-5-7-21(8-6-17)22(24)25-10-9-23-14-18-11-19(15-23)13-20(12-18)16-23/h5-8,18-20H,2-4,9-16H2,1H3
- InChI Key
- USHJKDDEMUOFQR-UHFFFAOYSA-N
- Formula
- C23H32O2
- SMILES
-
CCCCc1ccc(C(=O)OCCC23CC4CC(CC(
C4)C2)C3)cc1 - Molecular Weight1
- 340.50
- 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).
- 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° | 168.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -330.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.34 | kJ/mol | Joback Calculated Property |
| log10WS | -6.68 | Crippen Calculated Property | |
| logPoct/wat | 5.793 | Crippen Calculated Property | |
| McVol | 286.030 | ml/mol | McGowan Calculated Property |
| Pc | 1438.07 | kPa | Joback Calculated Property |
| Inp | [2622.70; 2622.70] |
|
|
| Inp | 2622.70 | NIST | |
| Inp | 2622.70 | NIST | |
| Tboil | 853.65 | K | Joback Calculated Property |
| Tc | 1077.58 | K | Joback Calculated Property |
| Tfus | 530.03 | K | Joback Calculated Property |
| Vc | 1.099 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [962.02; 1091.96] | J/mol×K | [853.65; 1077.58] |
|
| Cp,gas | 962.02 | J/mol×K | 853.65 | Joback Calculated Property |
| Cp,gas | 984.18 | J/mol×K | 890.97 | Joback Calculated Property |
| Cp,gas | 1005.84 | J/mol×K | 928.29 | Joback Calculated Property |
| Cp,gas | 1027.21 | J/mol×K | 965.62 | Joback Calculated Property |
| Cp,gas | 1048.54 | J/mol×K | 1002.94 | Joback Calculated Property |
| Cp,gas | 1070.04 | J/mol×K | 1040.26 | Joback Calculated Property |
| Cp,gas | 1091.96 | J/mol×K | 1077.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 2-(1-adamantyl)ethyl ester.
Sources
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