- InChI
- InChI=1S/C19H27ClO4/c1-3-4-8-13-23-18(21)9-6-5-7-10-19(22)24-16-11-12-17(20)15(2)14-16/h11-12,14H,3-10,13H2,1-2H3
- InChI Key
- LEBJHBRWKTUVCY-UHFFFAOYSA-N
- Formula
- C19H27ClO4
- SMILES
-
CCCCCOC(=O)CCCCCC(=O)Oc1ccc(Cl
)c(C)c1 - Molecular Weight1
- 354.87
- 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° | -277.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -727.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.18 | kJ/mol | Joback Calculated Property |
| log10WS | -5.99 | Crippen Calculated Property | |
| logPoct/wat | 5.238 | Crippen Calculated Property | |
| McVol | 281.930 | ml/mol | McGowan Calculated Property |
| Pc | 1386.08 | kPa | Joback Calculated Property |
| Inp | 2663.00 | NIST | |
| Tboil | 860.77 | K | Joback Calculated Property |
| Tc | 1066.00 | K | Joback Calculated Property |
| Tfus | 529.59 | K | Joback Calculated Property |
| Vc | 1.089 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [845.41; 917.12] | J/mol×K | [860.77; 1066.00] | 
|
| Cp,gas | 845.41 | J/mol×K | 860.77 | Joback Calculated Property |
| Cp,gas | 860.08 | J/mol×K | 894.98 | Joback Calculated Property |
| Cp,gas | 873.64 | J/mol×K | 929.18 | Joback Calculated Property |
| Cp,gas | 886.11 | J/mol×K | 963.39 | Joback Calculated Property |
| Cp,gas | 897.50 | J/mol×K | 997.59 | Joback Calculated Property |
| Cp,gas | 907.83 | J/mol×K | 1031.80 | Joback Calculated Property |
| Cp,gas | 917.12 | J/mol×K | 1066.00 | Joback Calculated Property |
| η | [0.0000554; 0.0004680] | Pa×s | [529.59; 860.77] |
|
| η | 0.0004680 | Pa×s | 529.59 | Joback Calculated Property |
| η | 0.0002772 | Pa×s | 584.79 | Joback Calculated Property |
| η | 0.0001797 | Pa×s | 639.98 | Joback Calculated Property |
| η | 0.0001248 | Pa×s | 695.18 | Joback Calculated Property |
| η | 0.0000915 | Pa×s | 750.38 | Joback Calculated Property |
| η | 0.0000699 | Pa×s | 805.57 | Joback Calculated Property |
| η | 0.0000554 | Pa×s | 860.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-chloro-3-methylphenyl pentyl ester.
Sources
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