- InChI
- InChI=1S/C23H34O4/c1-18(2)10-8-16-26-22(24)20-14-6-7-15-21(20)23(25)27-17-9-13-19-11-4-3-5-12-19/h3-5,11-12,18,20-21H,6-10,13-17H2,1-2H3
- InChI Key
- FGNSYVCEACGATI-UHFFFAOYSA-N
- Formula
- C23H34O4
- SMILES
-
CC(C)CCCOC(=O)C1CCCCC1C(=O)OCC
Cc1ccccc1 - Molecular Weight1
- 374.51
- 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° | -198.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -742.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.11 | kJ/mol | Joback Calculated Property |
| log10WS | -5.45 | Crippen Calculated Property | |
| logPoct/wat | 4.948 | Crippen Calculated Property | |
| McVol | 315.190 | ml/mol | McGowan Calculated Property |
| Pc | 1254.81 | kPa | Joback Calculated Property |
| Inp | 2700.00 | NIST | |
| Tboil | 919.34 | K | Joback Calculated Property |
| Tc | 1138.16 | K | Joback Calculated Property |
| Tfus | 507.85 | K | Joback Calculated Property |
| Vc | 1.190 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1058.70; 1138.35] | J/mol×K | [919.34; 1138.16] | 
|
| Cp,gas | 1058.70 | J/mol×K | 919.34 | Joback Calculated Property |
| Cp,gas | 1075.98 | J/mol×K | 955.81 | Joback Calculated Property |
| Cp,gas | 1091.61 | J/mol×K | 992.28 | Joback Calculated Property |
| Cp,gas | 1105.61 | J/mol×K | 1028.75 | Joback Calculated Property |
| Cp,gas | 1118.05 | J/mol×K | 1065.22 | Joback Calculated Property |
| Cp,gas | 1128.95 | J/mol×K | 1101.69 | Joback Calculated Property |
| Cp,gas | 1138.35 | J/mol×K | 1138.16 | Joback Calculated Property |
| η | [0.0000435; 0.0007045] | Pa×s | [507.85; 919.34] |
|
| η | 0.0007045 | Pa×s | 507.85 | Joback Calculated Property |
| η | 0.0003360 | Pa×s | 576.43 | Joback Calculated Property |
| η | 0.0001876 | Pa×s | 645.01 | Joback Calculated Property |
| η | 0.0001171 | Pa×s | 713.60 | Joback Calculated Property |
| η | 0.0000794 | Pa×s | 782.18 | Joback Calculated Property |
| η | 0.0000573 | Pa×s | 850.76 | Joback Calculated Property |
| η | 0.0000435 | Pa×s | 919.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, isohexyl 3-phenylpropyl ester.
Sources
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