- InChI
- InChI=1S/C20H29ClO4/c1-14(2)12-16(4)24-19(22)8-6-5-7-9-20(23)25-17-10-11-18(21)15(3)13-17/h10-11,13-14,16H,5-9,12H2,1-4H3
- InChI Key
- VGQFSCLOXGCTOX-UHFFFAOYSA-N
- Formula
- C20H29ClO4
- SMILES
-
Cc1cc(OC(=O)CCCCCC(=O)OC(C)CC(
C)C)ccc1Cl - 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° | -273.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -758.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.63 | kJ/mol | Joback Calculated Property |
| log10WS | -6.28 | Crippen Calculated Property | |
| logPoct/wat | 5.482 | Crippen Calculated Property | |
| McVol | 296.020 | ml/mol | McGowan Calculated Property |
| Pc | 1307.06 | kPa | Joback Calculated Property |
| Inp | [2568.00; 2568.00] |
|
|
| Inp | 2568.00 | NIST | |
| Inp | 2568.00 | NIST | |
| Tboil | 882.77 | K | Joback Calculated Property |
| Tc | 1092.15 | K | Joback Calculated Property |
| Tfus | 510.86 | K | Joback Calculated Property |
| Vc | 1.133 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [905.13; 977.62] | J/mol×K | [882.77; 1092.15] |
|
| Cp,gas | 905.13 | J/mol×K | 882.77 | Joback Calculated Property |
| Cp,gas | 920.19 | J/mol×K | 917.67 | Joback Calculated Property |
| Cp,gas | 934.03 | J/mol×K | 952.56 | Joback Calculated Property |
| Cp,gas | 946.67 | J/mol×K | 987.46 | Joback Calculated Property |
| Cp,gas | 958.14 | J/mol×K | 1022.36 | Joback Calculated Property |
| Cp,gas | 968.44 | J/mol×K | 1057.25 | Joback Calculated Property |
| Cp,gas | 977.62 | J/mol×K | 1092.15 | Joback Calculated Property |
| η | [0.0000402; 0.0005211] | Pa×s | [510.86; 882.77] |
|
| η | 0.0005211 | Pa×s | 510.86 | Joback Calculated Property |
| η | 0.0002698 | Pa×s | 572.85 | Joback Calculated Property |
| η | 0.0001588 | Pa×s | 634.83 | Joback Calculated Property |
| η | 0.0001028 | Pa×s | 696.82 | Joback Calculated Property |
| η | 0.0000714 | Pa×s | 758.80 | Joback Calculated Property |
| η | 0.0000524 | Pa×s | 820.78 | Joback Calculated Property |
| η | 0.0000402 | Pa×s | 882.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-chloro-3-methylphenyl 4-methyl-2-pentyl ester.
Sources
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