- InChI
- InChI=1S/C17H22Cl2O4/c1-11(2)7-6-10-22-15(20)17(3,4)16(21)23-13-9-5-8-12(18)14(13)19/h5,8-9,11H,6-7,10H2,1-4H3
- InChI Key
- MTYOFIIAFTVGRL-UHFFFAOYSA-N
- Formula
- C17H22Cl2O4
- SMILES
-
CC(C)CCCOC(=O)C(C)(C)C(=O)Oc1c
ccc(Cl)c1Cl - 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 | 0.7755 | Relay (1.0) Calculated Property | |
| ΔfG° | -305.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -839.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.904 | Crippen Calculated Property | |
| McVol | 265.990 | ml/mol | McGowan Calculated Property |
| Pc | 1594.89 | kPa | Joback Calculated Property |
| Inp | 2223.00 | NIST | |
| Tboil | 607.40 | K | Relay (1.0) Calculated Property |
| Tc | 851.05 | K | Relay (1.0) Calculated Property |
| Tfus | 307.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.969 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [757.09; 821.36] | J/mol×K | [848.77; 1067.85] | 
|
| Cp,gas | 757.09 | J/mol×K | 848.77 | Joback Calculated Property |
| Cp,gas | 770.43 | J/mol×K | 885.28 | Joback Calculated Property |
| Cp,gas | 782.67 | J/mol×K | 921.80 | Joback Calculated Property |
| Cp,gas | 793.85 | J/mol×K | 958.31 | Joback Calculated Property |
| Cp,gas | 803.99 | J/mol×K | 994.82 | Joback Calculated Property |
| Cp,gas | 813.15 | J/mol×K | 1031.33 | Joback Calculated Property |
| Cp,gas | 821.36 | J/mol×K | 1067.85 | Joback Calculated Property |
| η | [0.0000458; 0.0004714] | Pa×s | [524.39; 848.77] |
|
| η | 0.0004714 | Pa×s | 524.39 | Joback Calculated Property |
| η | 0.0002665 | Pa×s | 578.45 | Joback Calculated Property |
| η | 0.0001661 | Pa×s | 632.52 | Joback Calculated Property |
| η | 0.0001115 | Pa×s | 686.58 | Joback Calculated Property |
| η | 0.0000794 | Pa×s | 740.64 | Joback Calculated Property |
| η | 0.0000592 | Pa×s | 794.71 | Joback Calculated Property |
| η | 0.0000458 | Pa×s | 848.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 2,3-dichlorophenyl isohexyl ester.
Sources
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