- InChI
- InChI=1S/C12H12Cl2O4/c13-4-6-17-11(15)9-2-1-3-10(8-9)12(16)18-7-5-14/h1-3,8H,4-7H2
- InChI Key
- UZZVLAWGGKYCLD-UHFFFAOYSA-N
- Formula
- C12H12Cl2O4
- SMILES
- O=C(OCCCl)c1cccc(C(=O)OCCCl)c1
- Molecular Weight1
- 291.13
- 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 | 0.8061 | Relay (1.0) Calculated Property | |
| ΔfG° | -338.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -713.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.478 | Crippen Calculated Property | |
| McVol | 195.540 | ml/mol | McGowan Calculated Property |
| Pc | 2412.37 | kPa | Joback Calculated Property |
| Inp | [2220.00; 2220.00] |
|
|
| Inp | 2220.00 | NIST | |
| Inp | 2220.00 | NIST | |
| Tboil | 605.49 | K | Relay (1.0) Calculated Property |
| Tc | 830.05 | K | Relay (1.0) Calculated Property |
| Tfus | 335.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.699 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [484.74; 540.14] | J/mol×K | [733.06; 951.25] |
|
| Cp,gas | 484.74 | J/mol×K | 733.06 | Joback Calculated Property |
| Cp,gas | 496.09 | J/mol×K | 769.43 | Joback Calculated Property |
| Cp,gas | 506.58 | J/mol×K | 805.79 | Joback Calculated Property |
| Cp,gas | 516.22 | J/mol×K | 842.16 | Joback Calculated Property |
| Cp,gas | 525.03 | J/mol×K | 878.52 | Joback Calculated Property |
| Cp,gas | 533.00 | J/mol×K | 914.89 | Joback Calculated Property |
| Cp,gas | 540.14 | J/mol×K | 951.25 | Joback Calculated Property |
| η | [0.0001240; 0.0008555] | Pa×s | [468.10; 733.06] |
|
| η | 0.0008555 | Pa×s | 468.10 | Joback Calculated Property |
| η | 0.0005397 | Pa×s | 512.26 | Joback Calculated Property |
| η | 0.0003663 | Pa×s | 556.42 | Joback Calculated Property |
| η | 0.0002632 | Pa×s | 600.58 | Joback Calculated Property |
| η | 0.0001978 | Pa×s | 644.74 | Joback Calculated Property |
| η | 0.0001543 | Pa×s | 688.90 | Joback Calculated Property |
| η | 0.0001240 | Pa×s | 733.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, di(2-chloroethyl) ester.
Sources
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