- InChI
- InChI=1S/C14H16Cl2O4/c1-9(2)7-19-13(17)10-5-3-4-6-11(10)14(18)20-8-12(15)16/h3-6,9,12H,7-8H2,1-2H3
- InChI Key
- NUFGOHVIMDAQNI-UHFFFAOYSA-N
- Formula
- C14H16Cl2O4
- SMILES
-
CC(C)COC(=O)c1ccccc1C(=O)OCC(C
l)Cl - 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 | 0.7676 | Relay (1.0) Calculated Property | |
| ΔfG° | -326.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -751.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.460 | Crippen Calculated Property | |
| McVol | 223.720 | ml/mol | McGowan Calculated Property |
| Pc | 2043.76 | kPa | Joback Calculated Property |
| Inp | 2056.00 | NIST | |
| Tboil | 615.03 | K | Relay (1.0) Calculated Property |
| Tc | 830.60 | K | Relay (1.0) Calculated Property |
| Tfus | 306.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.803 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [591.47; 652.16] | J/mol×K | [777.94; 997.29] | 
|
| Cp,gas | 591.47 | J/mol×K | 777.94 | Joback Calculated Property |
| Cp,gas | 604.08 | J/mol×K | 814.50 | Joback Calculated Property |
| Cp,gas | 615.67 | J/mol×K | 851.06 | Joback Calculated Property |
| Cp,gas | 626.26 | J/mol×K | 887.61 | Joback Calculated Property |
| Cp,gas | 635.86 | J/mol×K | 924.17 | Joback Calculated Property |
| Cp,gas | 644.49 | J/mol×K | 960.73 | Joback Calculated Property |
| Cp,gas | 652.16 | J/mol×K | 997.29 | Joback Calculated Property |
| η | [0.0000805; 0.0009319] | Pa×s | [460.64; 777.94] |
|
| η | 0.0009319 | Pa×s | 460.64 | Joback Calculated Property |
| η | 0.0005022 | Pa×s | 513.52 | Joback Calculated Property |
| η | 0.0003037 | Pa×s | 566.41 | Joback Calculated Property |
| η | 0.0002002 | Pa×s | 619.29 | Joback Calculated Property |
| η | 0.0001409 | Pa×s | 672.17 | Joback Calculated Property |
| η | 0.0001043 | Pa×s | 725.06 | Joback Calculated Property |
| η | 0.0000805 | Pa×s | 777.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2,2-dichloroethyl isobutyl ester.
Sources
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