- InChI
- InChI=1S/C14H16Cl2O4/c1-9(2)8-19-13(17)3-4-14(18)20-12-6-10(15)5-11(16)7-12/h5-7,9H,3-4,8H2,1-2H3
- InChI Key
- KJLLZEAVRZFQCY-UHFFFAOYSA-N
- Formula
- C14H16Cl2O4
- SMILES
-
CC(C)COC(=O)CCC(=O)Oc1cc(Cl)cc
(Cl)c1 - Molecular Weight1
- 319.18
- 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 | 0.7758 | Relay (1.0) Calculated Property | |
| ΔfG° | -333.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -777.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.878 | Crippen Calculated Property | |
| McVol | 223.720 | ml/mol | McGowan Calculated Property |
| Pc | 2001.91 | kPa | Joback Calculated Property |
| Inp | 2106.00 | NIST | |
| Tboil | 600.99 | K | Relay (1.0) Calculated Property |
| Tc | 813.82 | K | Relay (1.0) Calculated Property |
| Tfus | 325.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.816 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [589.53; 649.13] | J/mol×K | [783.36; 1000.10] | 
|
| Cp,gas | 589.53 | J/mol×K | 783.36 | Joback Calculated Property |
| Cp,gas | 601.85 | J/mol×K | 819.48 | Joback Calculated Property |
| Cp,gas | 613.20 | J/mol×K | 855.61 | Joback Calculated Property |
| Cp,gas | 623.60 | J/mol×K | 891.73 | Joback Calculated Property |
| Cp,gas | 633.05 | J/mol×K | 927.85 | Joback Calculated Property |
| Cp,gas | 641.56 | J/mol×K | 963.98 | Joback Calculated Property |
| Cp,gas | 649.13 | J/mol×K | 1000.10 | Joback Calculated Property |
| η | [0.0000881; 0.0006953] | Pa×s | [488.16; 783.36] |
|
| η | 0.0006953 | Pa×s | 488.16 | Joback Calculated Property |
| η | 0.0004209 | Pa×s | 537.36 | Joback Calculated Property |
| η | 0.0002771 | Pa×s | 586.56 | Joback Calculated Property |
| η | 0.0001947 | Pa×s | 635.76 | Joback Calculated Property |
| η | 0.0001439 | Pa×s | 684.96 | Joback Calculated Property |
| η | 0.0001107 | Pa×s | 734.16 | Joback Calculated Property |
| η | 0.0000881 | Pa×s | 783.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3,5-dichlorophenyl isobutyl ester.
Sources
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