- InChI
- InChI=1S/C11H12Cl2O2/c1-11(2,3)10(14)15-7-4-5-8(12)9(13)6-7/h4-6H,1-3H3
- InChI Key
- XIRSVOKAKYHVOX-UHFFFAOYSA-N
- Formula
- C11H12Cl2O2
- SMILES
- CC(C)(C)C(=O)Oc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 247.12
- 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 | 0.5462 | Relay (1.0) Calculated Property | |
| ΔfG° | -120.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -425.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.945 | Crippen Calculated Property | |
| McVol | 174.010 | ml/mol | McGowan Calculated Property |
| Pc | 2545.61 | kPa | Joback Calculated Property |
| Inp | [1552.00; 1552.00] |
|
|
| Inp | 1552.00 | NIST | |
| Inp | 1552.00 | NIST | |
| Tboil | 534.62 | K | Relay (1.0) Calculated Property |
| Tc | 773.06 | K | Relay (1.0) Calculated Property |
| Tfus | 325.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.633 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [400.40; 463.72] | J/mol×K | [635.64; 867.66] |
|
| Cp,gas | 400.40 | J/mol×K | 635.64 | Joback Calculated Property |
| Cp,gas | 413.12 | J/mol×K | 674.31 | Joback Calculated Property |
| Cp,gas | 424.92 | J/mol×K | 712.98 | Joback Calculated Property |
| Cp,gas | 435.84 | J/mol×K | 751.65 | Joback Calculated Property |
| Cp,gas | 445.91 | J/mol×K | 790.32 | Joback Calculated Property |
| Cp,gas | 455.19 | J/mol×K | 828.99 | Joback Calculated Property |
| Cp,gas | 463.72 | J/mol×K | 867.66 | Joback Calculated Property |
| η | [0.0001553; 0.0012318] | Pa×s | [399.61; 635.64] |
|
| η | 0.0012318 | Pa×s | 399.61 | Joback Calculated Property |
| η | 0.0007473 | Pa×s | 438.95 | Joback Calculated Property |
| η | 0.0004922 | Pa×s | 478.29 | Joback Calculated Property |
| η | 0.0003454 | Pa×s | 517.62 | Joback Calculated Property |
| η | 0.0002548 | Pa×s | 556.96 | Joback Calculated Property |
| η | 0.0001957 | Pa×s | 596.30 | Joback Calculated Property |
| η | 0.0001553 | Pa×s | 635.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dimethylpropanoic acid, 3,4-dichlorophenyl ester.
Sources
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