- InChI
- InChI=1S/C12H14Cl2O2/c1-3-8(4-2)12(15)16-9-5-6-10(13)11(14)7-9/h5-8H,3-4H2,1-2H3
- InChI Key
- SBLSKPMQKSFBRL-UHFFFAOYSA-N
- Formula
- C12H14Cl2O2
- SMILES
- CCC(CC)C(=O)Oc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 261.14
- 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 | 0.6118 | Relay (1.0) Calculated Property | |
| ΔfG° | -116.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -440.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.335 | Crippen Calculated Property | |
| McVol | 188.100 | ml/mol | McGowan Calculated Property |
| Pc | 2291.52 | kPa | Joback Calculated Property |
| Inp | [1758.00; 1758.00] |
|
|
| Inp | 1758.00 | NIST | |
| Inp | 1758.00 | NIST | |
| Tboil | 553.16 | K | Relay (1.0) Calculated Property |
| Tc | 798.98 | K | Relay (1.0) Calculated Property |
| Tfus | 300.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.662 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [446.80; 513.62] | J/mol×K | [661.31; 880.74] |
|
| Cp,gas | 446.80 | J/mol×K | 661.31 | Joback Calculated Property |
| Cp,gas | 459.97 | J/mol×K | 697.88 | Joback Calculated Property |
| Cp,gas | 472.30 | J/mol×K | 734.45 | Joback Calculated Property |
| Cp,gas | 483.81 | J/mol×K | 771.02 | Joback Calculated Property |
| Cp,gas | 494.53 | J/mol×K | 807.59 | Joback Calculated Property |
| Cp,gas | 504.46 | J/mol×K | 844.17 | Joback Calculated Property |
| Cp,gas | 513.62 | J/mol×K | 880.74 | Joback Calculated Property |
| η | [0.0001486; 0.0013178] | Pa×s | [393.46; 661.31] |
|
| η | 0.0013178 | Pa×s | 393.46 | Joback Calculated Property |
| η | 0.0007610 | Pa×s | 438.10 | Joback Calculated Property |
| η | 0.0004865 | Pa×s | 482.74 | Joback Calculated Property |
| η | 0.0003354 | Pa×s | 527.38 | Joback Calculated Property |
| η | 0.0002451 | Pa×s | 572.03 | Joback Calculated Property |
| η | 0.0001874 | Pa×s | 616.67 | Joback Calculated Property |
| η | 0.0001486 | Pa×s | 661.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylbutyric acid, 3,4-dichlorophenyl ester.
Sources
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