- InChI
- InChI=1S/C18H25ClO4/c1-13(2)12-22-17(20)7-5-4-6-8-18(21)23-15-9-10-16(19)14(3)11-15/h9-11,13H,4-8,12H2,1-3H3
- InChI Key
- PQWUDJIDINWULW-UHFFFAOYSA-N
- Formula
- C18H25ClO4
- SMILES
-
Cc1cc(OC(=O)CCCCCC(=O)OCC(C)C)
ccc1Cl - Molecular Weight1
- 340.84
- 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° | -288.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -711.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.57 | kJ/mol | Joback Calculated Property |
| log10WS | -5.33 | Crippen Calculated Property | |
| logPoct/wat | 4.704 | Crippen Calculated Property | |
| McVol | 267.840 | ml/mol | McGowan Calculated Property |
| Pc | 1499.99 | kPa | Joback Calculated Property |
| Inp | [2470.00; 2470.00] |
|
|
| Inp | 2470.00 | NIST | |
| Inp | 2470.00 | NIST | |
| Tboil | 837.45 | K | Joback Calculated Property |
| Tc | 1044.56 | K | Joback Calculated Property |
| Tfus | 503.32 | K | Joback Calculated Property |
| Vc | 1.026 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [788.01; 859.32] | J/mol×K | [837.45; 1044.56] |
|
| Cp,gas | 788.01 | J/mol×K | 837.45 | Joback Calculated Property |
| Cp,gas | 802.59 | J/mol×K | 871.97 | Joback Calculated Property |
| Cp,gas | 816.08 | J/mol×K | 906.49 | Joback Calculated Property |
| Cp,gas | 828.48 | J/mol×K | 941.00 | Joback Calculated Property |
| Cp,gas | 839.81 | J/mol×K | 975.52 | Joback Calculated Property |
| Cp,gas | 850.09 | J/mol×K | 1010.04 | Joback Calculated Property |
| Cp,gas | 859.32 | J/mol×K | 1044.56 | Joback Calculated Property |
| η | [0.0000583; 0.0005729] | Pa×s | [503.32; 837.45] |
|
| η | 0.0005729 | Pa×s | 503.32 | Joback Calculated Property |
| η | 0.0003239 | Pa×s | 559.01 | Joback Calculated Property |
| η | 0.0002030 | Pa×s | 614.70 | Joback Calculated Property |
| η | 0.0001375 | Pa×s | 670.38 | Joback Calculated Property |
| η | 0.0000989 | Pa×s | 726.07 | Joback Calculated Property |
| η | 0.0000745 | Pa×s | 781.76 | Joback Calculated Property |
| η | 0.0000583 | Pa×s | 837.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-chloro-3-methylphenyl isobutyl ester.
Sources
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