- InChI
- InChI=1S/C17H23ClO4/c1-3-11-21-16(19)7-5-4-6-8-17(20)22-14-9-10-15(18)13(2)12-14/h9-10,12H,3-8,11H2,1-2H3
- InChI Key
- KQWQNKQVFZPCGB-UHFFFAOYSA-N
- Formula
- C17H23ClO4
- SMILES
-
CCCOC(=O)CCCCCC(=O)Oc1ccc(Cl)c
(C)c1 - Molecular Weight1
- 326.81
- 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° | -294.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -685.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.73 | kJ/mol | Joback Calculated Property |
| log10WS | -5.16 | Crippen Calculated Property | |
| logPoct/wat | 4.458 | Crippen Calculated Property | |
| McVol | 253.750 | ml/mol | McGowan Calculated Property |
| Pc | 1607.71 | kPa | Joback Calculated Property |
| Inp | [2426.00; 2426.00] |
|
|
| Inp | 2426.00 | NIST | |
| Inp | 2426.00 | NIST | |
| Tboil | 815.01 | K | Joback Calculated Property |
| Tc | 1020.37 | K | Joback Calculated Property |
| Tfus | 507.05 | K | Joback Calculated Property |
| Vc | 0.977 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [730.36; 800.43] | J/mol×K | [815.01; 1020.37] |
|
| Cp,gas | 730.36 | J/mol×K | 815.01 | Joback Calculated Property |
| Cp,gas | 744.56 | J/mol×K | 849.24 | Joback Calculated Property |
| Cp,gas | 757.73 | J/mol×K | 883.46 | Joback Calculated Property |
| Cp,gas | 769.90 | J/mol×K | 917.69 | Joback Calculated Property |
| Cp,gas | 781.06 | J/mol×K | 951.91 | Joback Calculated Property |
| Cp,gas | 791.23 | J/mol×K | 986.14 | Joback Calculated Property |
| Cp,gas | 800.43 | J/mol×K | 1020.37 | Joback Calculated Property |
| η | [0.0000730; 0.0005664] | Pa×s | [507.05; 815.01] |
|
| η | 0.0005664 | Pa×s | 507.05 | Joback Calculated Property |
| η | 0.0003441 | Pa×s | 558.38 | Joback Calculated Property |
| η | 0.0002273 | Pa×s | 609.70 | Joback Calculated Property |
| η | 0.0001601 | Pa×s | 661.03 | Joback Calculated Property |
| η | 0.0001187 | Pa×s | 712.36 | Joback Calculated Property |
| η | 0.0000915 | Pa×s | 763.68 | Joback Calculated Property |
| η | 0.0000730 | Pa×s | 815.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-chloro-3-methylphenyl propyl ester.
Sources
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