- InChI
- InChI=1S/C20H29ClO4/c1-3-4-5-9-14-24-19(22)10-7-6-8-11-20(23)25-17-12-13-18(21)16(2)15-17/h12-13,15H,3-11,14H2,1-2H3
- InChI Key
- JTWJDPPCJGCPJA-UHFFFAOYSA-N
- Formula
- C20H29ClO4
- SMILES
-
CCCCCCOC(=O)CCCCCC(=O)Oc1ccc(C
l)c(C)c1 - Molecular Weight1
- 368.89
- 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° | -269.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -747.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.41 | kJ/mol | Joback Calculated Property |
| log10WS | -6.41 | Crippen Calculated Property | |
| logPoct/wat | 5.628 | Crippen Calculated Property | |
| McVol | 296.020 | ml/mol | McGowan Calculated Property |
| Pc | 1292.07 | kPa | Joback Calculated Property |
| Inp | [2766.00; 2766.00] |
|
|
| Inp | 2766.00 | NIST | |
| Inp | 2766.00 | NIST | |
| Tboil | 883.65 | K | Joback Calculated Property |
| Tc | 1089.89 | K | Joback Calculated Property |
| Tfus | 540.86 | K | Joback Calculated Property |
| Vc | 1.145 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [904.12; 976.41] | J/mol×K | [883.65; 1089.89] |
|
| Cp,gas | 904.12 | J/mol×K | 883.65 | Joback Calculated Property |
| Cp,gas | 919.00 | J/mol×K | 918.02 | Joback Calculated Property |
| Cp,gas | 932.72 | J/mol×K | 952.40 | Joback Calculated Property |
| Cp,gas | 945.31 | J/mol×K | 986.77 | Joback Calculated Property |
| Cp,gas | 956.77 | J/mol×K | 1021.14 | Joback Calculated Property |
| Cp,gas | 967.13 | J/mol×K | 1055.52 | Joback Calculated Property |
| Cp,gas | 976.41 | J/mol×K | 1089.89 | Joback Calculated Property |
| η | [0.0000480; 0.0004227] | Pa×s | [540.86; 883.65] |
|
| η | 0.0004227 | Pa×s | 540.86 | Joback Calculated Property |
| η | 0.0002474 | Pa×s | 597.99 | Joback Calculated Property |
| η | 0.0001590 | Pa×s | 655.12 | Joback Calculated Property |
| η | 0.0001097 | Pa×s | 712.25 | Joback Calculated Property |
| η | 0.0000799 | Pa×s | 769.39 | Joback Calculated Property |
| η | 0.0000609 | Pa×s | 826.52 | Joback Calculated Property |
| η | 0.0000480 | Pa×s | 883.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-chloro-3-methylphenyl hexyl ester.
Sources
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