- InChI
- InChI=1S/C10H9Cl3O2/c11-5-1-2-10(14)15-7-3-4-8(12)9(13)6-7/h3-4,6H,1-2,5H2
- InChI Key
- DILXPIIEMXUPCA-UHFFFAOYSA-N
- Formula
- C10H9Cl3O2
- SMILES
- O=C(CCCCl)Oc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 267.54
- 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 | 0.6483 | Relay (1.0) Calculated Property | |
| ΔfG° | -143.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -401.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.918 | Crippen Calculated Property | |
| McVol | 172.160 | ml/mol | McGowan Calculated Property |
| Pc | 2651.56 | kPa | Joback Calculated Property |
| Inp | [1845.00; 1938.00] |
|
|
| Inp | 1938.00 | NIST | |
| Inp | 1845.00 | NIST | |
| Inp | 1938.00 | NIST | |
| Tboil | 570.58 | K | Relay (1.0) Calculated Property |
| Tc | 822.35 | K | Relay (1.0) Calculated Property |
| Tfus | 305.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.606 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.77; 424.52] | J/mol×K | [653.42; 879.65] |
|
| Cp,gas | 371.77 | J/mol×K | 653.42 | Joback Calculated Property |
| Cp,gas | 382.30 | J/mol×K | 691.12 | Joback Calculated Property |
| Cp,gas | 392.12 | J/mol×K | 728.83 | Joback Calculated Property |
| Cp,gas | 401.23 | J/mol×K | 766.53 | Joback Calculated Property |
| Cp,gas | 409.66 | J/mol×K | 804.24 | Joback Calculated Property |
| Cp,gas | 417.42 | J/mol×K | 841.94 | Joback Calculated Property |
| Cp,gas | 424.52 | J/mol×K | 879.65 | Joback Calculated Property |
| η | [0.0001846; 0.0011233] | Pa×s | [415.84; 653.42] |
|
| η | 0.0011233 | Pa×s | 415.84 | Joback Calculated Property |
| η | 0.0007294 | Pa×s | 455.44 | Joback Calculated Property |
| η | 0.0005075 | Pa×s | 495.03 | Joback Calculated Property |
| η | 0.0003726 | Pa×s | 534.63 | Joback Calculated Property |
| η | 0.0002855 | Pa×s | 574.23 | Joback Calculated Property |
| η | 0.0002264 | Pa×s | 613.82 | Joback Calculated Property |
| η | 0.0001846 | Pa×s | 653.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobutyric acid, 3,4-dichlorophenyl ester.
Sources
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