- InChI
- InChI=1S/C18H15Cl3O4/c1-2-3-8-24-17(22)12-6-4-5-7-13(12)18(23)25-15-10-11(19)9-14(20)16(15)21/h4-7,9-10H,2-3,8H2,1H3
- InChI Key
- QZSMGODCNNZSQB-UHFFFAOYSA-N
- Formula
- C18H15Cl3O4
- SMILES
-
CCCCOC(=O)c1ccccc1C(=O)Oc1cc(C
l)cc(Cl)c1Cl - Molecular Weight1
- 401.67
- 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 | 0.9101 | Relay (1.0) Calculated Property | |
| ΔfG° | -216.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -616.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.823 | Crippen Calculated Property | |
| McVol | 268.560 | ml/mol | McGowan Calculated Property |
| Pc | 1790.91 | kPa | Joback Calculated Property |
| Inp | [2727.00; 2727.00] |
|
|
| Inp | 2727.00 | NIST | |
| Inp | 2727.00 | NIST | |
| Tboil | 663.51 | K | Relay (1.0) Calculated Property |
| Tc | 946.08 | K | Relay (1.0) Calculated Property |
| Tfus | 305.81 | K | Relay (1.0) Calculated Property |
| Vc | 0.968 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [726.75; 765.53] | J/mol×K | [949.39; 1189.09] |
|
| Cp,gas | 726.75 | J/mol×K | 949.39 | Joback Calculated Property |
| Cp,gas | 736.27 | J/mol×K | 989.34 | Joback Calculated Property |
| Cp,gas | 744.55 | J/mol×K | 1029.29 | Joback Calculated Property |
| Cp,gas | 751.59 | J/mol×K | 1069.24 | Joback Calculated Property |
| Cp,gas | 757.42 | J/mol×K | 1109.19 | Joback Calculated Property |
| Cp,gas | 762.06 | J/mol×K | 1149.14 | Joback Calculated Property |
| Cp,gas | 765.53 | J/mol×K | 1189.09 | Joback Calculated Property |
| η | [0.0000506; 0.0002679] | Pa×s | [629.62; 949.39] |
|
| η | 0.0002679 | Pa×s | 629.62 | Joback Calculated Property |
| η | 0.0001821 | Pa×s | 682.91 | Joback Calculated Property |
| η | 0.0001308 | Pa×s | 736.21 | Joback Calculated Property |
| η | 0.0000983 | Pa×s | 789.50 | Joback Calculated Property |
| η | 0.0000766 | Pa×s | 842.80 | Joback Calculated Property |
| η | 0.0000615 | Pa×s | 896.09 | Joback Calculated Property |
| η | 0.0000506 | Pa×s | 949.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, butyl 2,3,5-trichlorophenyl ester.
Sources
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