- InChI
- InChI=1S/C17H23ClO4/c1-12(2)11-21-16(19)6-4-5-7-17(20)22-15-10-13(3)8-9-14(15)18/h8-10,12H,4-7,11H2,1-3H3
- InChI Key
- PRIYAETYHQFLRD-UHFFFAOYSA-N
- Formula
- C17H23ClO4
- SMILES
-
Cc1ccc(Cl)c(OC(=O)CCCCC(=O)OCC
(C)C)c1 - Molecular Weight1
- 326.81
- 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 | 0.8592 | Relay (... Calculated Property | |
| ΔfG° | -296.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -833.51 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 39.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.09 | kJ/mol | Relay (... Calculated Property |
| IE | 8.34 | eV | Relay (... Calculated Property |
| log10WS | -4.67 | Relay (... Calculated Property | |
| logPoct/wat | 4.313 | Crippen Calculated Property | |
| McVol | 253.750 | ml/mol | McGowan Calculated Property |
| Pc | 1618.07 | kPa | Joback Calculated Property |
| Inp | 2283.00 | NIST | |
| Tboil | 617.42 | K | Relay (... Calculated Property |
| Tc | 827.00 | K | Relay (... Calculated Property |
| Tfus | 318.86 | K | Relay (... Calculated Property |
| Vc | 0.940 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [730.92; 801.44] | J/mol×K | [814.57; 1022.39] | 
|
| Cp,gas | 730.92 | J/mol×K | 814.57 | Joback Calculated Property |
| Cp,gas | 745.28 | J/mol×K | 849.21 | Joback Calculated Property |
| Cp,gas | 758.58 | J/mol×K | 883.84 | Joback Calculated Property |
| Cp,gas | 770.83 | J/mol×K | 918.48 | Joback Calculated Property |
| Cp,gas | 782.05 | J/mol×K | 953.12 | Joback Calculated Property |
| Cp,gas | 792.25 | J/mol×K | 987.76 | Joback Calculated Property |
| Cp,gas | 801.44 | J/mol×K | 1022.39 | Joback Calculated Property |
| η | [0.0000670; 0.0006311] | Pa×s | [492.05; 814.57] |
|
| η | 0.0006311 | Pa×s | 492.05 | Joback Calculated Property |
| η | 0.0003612 | Pa×s | 545.80 | Joback Calculated Property |
| η | 0.0002285 | Pa×s | 599.56 | Joback Calculated Property |
| η | 0.0001559 | Pa×s | 653.31 | Joback Calculated Property |
| η | 0.0001127 | Pa×s | 707.06 | Joback Calculated Property |
| η | 0.0000853 | Pa×s | 760.82 | Joback Calculated Property |
| η | 0.0000670 | Pa×s | 814.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 2-chloro-5-methylphenyl isobutyl ester.
Sources
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