- InChI
- InChI=1S/C23H34Cl2O4/c1-2-3-4-5-6-7-8-12-17-28-22(26)13-10-9-11-14-23(27)29-19-15-16-20(24)21(25)18-19/h15-16,18H,2-14,17H2,1H3
- InChI Key
- BTDKRZPYLWWDOX-UHFFFAOYSA-N
- Formula
- C23H34Cl2O4
- SMILES
-
CCCCCCCCCCOC(=O)CCCCCC(=O)Oc1c
cc(Cl)c(Cl)c1 - Molecular Weight1
- 445.42
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.1584 | Relay (1.0) Calculated Property | |
| ΔfG° | -255.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -962.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.533 | Crippen Calculated Property | |
| McVol | 350.530 | ml/mol | McGowan Calculated Property |
| Pc | 1035.90 | kPa | Joback Calculated Property |
| Inp | [3083.00; 3083.00] |
|
|
| Inp | 3083.00 | NIST | |
| Inp | 3083.00 | NIST | |
| Tboil | 673.43 | K | Relay (1.0) Calculated Property |
| Tc | 897.99 | K | Relay (1.0) Calculated Property |
| Tfus | 318.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.310 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1108.77; 1174.60] | J/mol×K | [989.72; 1211.74] |
|
| Cp,gas | 1108.77 | J/mol×K | 989.72 | Joback Calculated Property |
| Cp,gas | 1123.10 | J/mol×K | 1026.72 | Joback Calculated Property |
| Cp,gas | 1136.04 | J/mol×K | 1063.73 | Joback Calculated Property |
| Cp,gas | 1147.62 | J/mol×K | 1100.73 | Joback Calculated Property |
| Cp,gas | 1157.88 | J/mol×K | 1137.74 | Joback Calculated Property |
| Cp,gas | 1166.86 | J/mol×K | 1174.74 | Joback Calculated Property |
| Cp,gas | 1174.60 | J/mol×K | 1211.74 | Joback Calculated Property |
| η | [0.0000260; 0.0002456] | Pa×s | [604.59; 989.72] |
|
| η | 0.0002456 | Pa×s | 604.59 | Joback Calculated Property |
| η | 0.0001412 | Pa×s | 668.78 | Joback Calculated Property |
| η | 0.0000895 | Pa×s | 732.97 | Joback Calculated Property |
| η | 0.0000610 | Pa×s | 797.15 | Joback Calculated Property |
| η | 0.0000440 | Pa×s | 861.34 | Joback Calculated Property |
| η | 0.0000333 | Pa×s | 925.53 | Joback Calculated Property |
| η | 0.0000260 | Pa×s | 989.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, decyl 3,4-dichlorophenyl ester.
Sources
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