- InChI
- InChI=1S/C21H22Cl2O4/c1-14-12-16(8-10-18(14)22)26-20(24)6-4-3-5-7-21(25)27-17-9-11-19(23)15(2)13-17/h8-13H,3-7H2,1-2H3
- InChI Key
- HGEXYUBYBWEILM-UHFFFAOYSA-N
- Formula
- C21H22Cl2O4
- SMILES
-
Cc1cc(OC(=O)CCCCCC(=O)Oc2ccc(C
l)c(C)c2)ccc1Cl - Molecular Weight1
- 409.30
- 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° | -179.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -570.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.62 | kJ/mol | Joback Calculated Property |
| log10WS | -7.33 | Crippen Calculated Property | |
| logPoct/wat | 6.072 | Crippen Calculated Property | |
| McVol | 298.590 | ml/mol | McGowan Calculated Property |
| Pc | 1463.49 | kPa | Joback Calculated Property |
| Inp | [2282.00; 2282.00] |
|
|
| Inp | 2282.00 | NIST | |
| Inp | 2282.00 | NIST | |
| Tboil | 980.60 | K | Joback Calculated Property |
| Tc | 1213.72 | K | Joback Calculated Property |
| Tfus | 633.51 | K | Joback Calculated Property |
| Vc | 1.141 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [879.37; 926.54] | J/mol×K | [980.60; 1213.72] |
|
| Cp,gas | 879.37 | J/mol×K | 980.60 | Joback Calculated Property |
| Cp,gas | 890.52 | J/mol×K | 1019.45 | Joback Calculated Property |
| Cp,gas | 900.32 | J/mol×K | 1058.31 | Joback Calculated Property |
| Cp,gas | 908.79 | J/mol×K | 1097.16 | Joback Calculated Property |
| Cp,gas | 915.97 | J/mol×K | 1136.01 | Joback Calculated Property |
| Cp,gas | 921.87 | J/mol×K | 1174.86 | Joback Calculated Property |
| Cp,gas | 926.54 | J/mol×K | 1213.72 | Joback Calculated Property |
| η | [0.0000384; 0.0002331] | Pa×s | [633.51; 980.60] |
|
| η | 0.0002331 | Pa×s | 633.51 | Joback Calculated Property |
| η | 0.0001522 | Pa×s | 691.36 | Joback Calculated Property |
| η | 0.0001061 | Pa×s | 749.21 | Joback Calculated Property |
| η | 0.0000779 | Pa×s | 807.05 | Joback Calculated Property |
| η | 0.0000596 | Pa×s | 864.90 | Joback Calculated Property |
| η | 0.0000472 | Pa×s | 922.75 | Joback Calculated Property |
| η | 0.0000384 | Pa×s | 980.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, di(4-chloro-3-methylphenyl) ester.
Sources
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