- InChI
- InChI=1S/C17H22Cl2O4/c1-12(2)11-22-16(20)6-4-3-5-7-17(21)23-13-8-9-14(18)15(19)10-13/h8-10,12H,3-7,11H2,1-2H3
- InChI Key
- DOMBJXNDWKLPAO-UHFFFAOYSA-N
- Formula
- C17H22Cl2O4
- SMILES
-
CC(C)COC(=O)CCCCCC(=O)Oc1ccc(C
l)c(Cl)c1 - Molecular Weight1
- 361.26
- 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 | 0.9052 | Relay (... Calculated Property | |
| ΔfG° | -308.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -849.84 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 43.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.42 | kJ/mol | Relay (... Calculated Property |
| IE | 8.64 | eV | Relay (... Calculated Property |
| log10WS | -5.59 | Relay (... Calculated Property | |
| logPoct/wat | 5.048 | Crippen Calculated Property | |
| McVol | 265.990 | ml/mol | McGowan Calculated Property |
| Pc | 1570.96 | kPa | Joback Calculated Property |
| Inp | [2428.00; 2428.00] |
|
|
| Inp | 2428.00 | NIST | |
| Inp | 2428.00 | NIST | |
| Tboil | 630.96 | K | Relay (... Calculated Property |
| Tc | 853.11 | K | Relay (... Calculated Property |
| Tfus | 319.27 | K | Relay (... Calculated Property |
| Vc | 0.979 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [755.82; 818.99] | J/mol×K | [852.00; 1063.90] |
|
| Cp,gas | 755.82 | J/mol×K | 852.00 | Joback Calculated Property |
| Cp,gas | 768.99 | J/mol×K | 887.32 | Joback Calculated Property |
| Cp,gas | 781.08 | J/mol×K | 922.63 | Joback Calculated Property |
| Cp,gas | 792.11 | J/mol×K | 957.95 | Joback Calculated Property |
| Cp,gas | 802.10 | J/mol×K | 993.26 | Joback Calculated Property |
| Cp,gas | 811.05 | J/mol×K | 1028.58 | Joback Calculated Property |
| Cp,gas | 818.99 | J/mol×K | 1063.90 | Joback Calculated Property |
| η | [0.0000580; 0.0005217] | Pa×s | [521.97; 852.00] |
|
| η | 0.0005217 | Pa×s | 521.97 | Joback Calculated Property |
| η | 0.0003039 | Pa×s | 576.98 | Joback Calculated Property |
| η | 0.0001945 | Pa×s | 631.98 | Joback Calculated Property |
| η | 0.0001337 | Pa×s | 686.99 | Joback Calculated Property |
| η | 0.0000971 | Pa×s | 741.99 | Joback Calculated Property |
| η | 0.0000738 | Pa×s | 797.00 | Joback Calculated Property |
| η | 0.0000580 | Pa×s | 852.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 3,4-dichlorophenyl isobutyl ester.
Sources
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