- InChI
- InChI=1S/C18H23ClO4/c1-12(2)11-22-17(20)15-5-3-4-6-16(15)18(21)23-14-9-7-13(19)8-10-14/h7-10,12,15-16H,3-6,11H2,1-2H3
- InChI Key
- DUSIRPLOMCQWEN-UHFFFAOYSA-N
- Formula
- C18H23ClO4
- SMILES
-
CC(C)COC(=O)C1CCCCC1C(=O)Oc1cc
c(Cl)cc1 - Molecular Weight1
- 338.83
- 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 | 0.7168 | Relay (... Calculated Property | |
| ΔfG° | -262.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -797.20 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 35.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.62 | kJ/mol | Relay (... Calculated Property |
| IE | 8.66 | eV | Relay (... Calculated Property |
| log10WS | -5.16 | Relay (... Calculated Property | |
| logPoct/wat | 4.251 | Crippen Calculated Property | |
| McVol | 256.980 | ml/mol | McGowan Calculated Property |
| Pc | 1743.37 | kPa | Joback Calculated Property |
| Inp | 2380.00 | NIST | |
| Tboil | 646.31 | K | Relay (... Calculated Property |
| Tc | 878.99 | K | Relay (... Calculated Property |
| Tfus | 349.04 | K | Relay (... Calculated Property |
| Vc | 0.912 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [787.06; 860.52] | J/mol×K | [847.35; 1076.90] | 
|
| Cp,gas | 787.06 | J/mol×K | 847.35 | Joback Calculated Property |
| Cp,gas | 803.15 | J/mol×K | 885.61 | Joback Calculated Property |
| Cp,gas | 817.66 | J/mol×K | 923.87 | Joback Calculated Property |
| Cp,gas | 830.63 | J/mol×K | 962.12 | Joback Calculated Property |
| Cp,gas | 842.09 | J/mol×K | 1000.38 | Joback Calculated Property |
| Cp,gas | 852.04 | J/mol×K | 1038.64 | Joback Calculated Property |
| Cp,gas | 860.52 | J/mol×K | 1076.90 | Joback Calculated Property |
| η | [0.0000771; 0.0008267] | Pa×s | [493.94; 847.35] |
|
| η | 0.0008267 | Pa×s | 493.94 | Joback Calculated Property |
| η | 0.0004510 | Pa×s | 552.84 | Joback Calculated Property |
| η | 0.0002765 | Pa×s | 611.74 | Joback Calculated Property |
| η | 0.0001847 | Pa×s | 670.64 | Joback Calculated Property |
| η | 0.0001317 | Pa×s | 729.55 | Joback Calculated Property |
| η | 0.0000988 | Pa×s | 788.45 | Joback Calculated Property |
| η | 0.0000771 | Pa×s | 847.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 4-chlorophenyl isobutyl ester.
Sources
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