- InChI
- InChI=1S/C19H18Cl2O4/c1-2-3-4-11-24-18(22)13-7-5-8-14(12-13)19(23)25-17-15(20)9-6-10-16(17)21/h5-10,12H,2-4,11H2,1H3
- InChI Key
- BHGCTCFKEWKOKR-UHFFFAOYSA-N
- Formula
- C19H18Cl2O4
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)Oc2c(Cl
)cccc2Cl)c1 - Molecular Weight1
- 381.25
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -186.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -517.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.51 | kJ/mol | Joback Calculated Property |
| log10WS | -6.85 | Crippen Calculated Property | |
| logPoct/wat | 5.560 | Crippen Calculated Property | |
| McVol | 270.410 | ml/mol | McGowan Calculated Property |
| Pc | 1726.03 | kPa | Joback Calculated Property |
| Inp | [2843.00; 2843.00] |
|
|
| Inp | 2843.00 | NIST | |
| Inp | 2843.00 | NIST | |
| Tboil | 929.86 | K | Joback Calculated Property |
| Tc | 1163.73 | K | Joback Calculated Property |
| Tfus | 598.45 | K | Joback Calculated Property |
| Vc | 1.030 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [765.86; 814.22] | J/mol×K | [929.86; 1163.73] |
|
| Cp,gas | 765.86 | J/mol×K | 929.86 | Joback Calculated Property |
| Cp,gas | 776.98 | J/mol×K | 968.84 | Joback Calculated Property |
| Cp,gas | 786.84 | J/mol×K | 1007.82 | Joback Calculated Property |
| Cp,gas | 795.46 | J/mol×K | 1046.79 | Joback Calculated Property |
| Cp,gas | 802.88 | J/mol×K | 1085.77 | Joback Calculated Property |
| Cp,gas | 809.13 | J/mol×K | 1124.75 | Joback Calculated Property |
| Cp,gas | 814.22 | J/mol×K | 1163.73 | Joback Calculated Property |
| η | [0.0000500; 0.0003155] | Pa×s | [598.45; 929.86] |
|
| η | 0.0003155 | Pa×s | 598.45 | Joback Calculated Property |
| η | 0.0002039 | Pa×s | 653.69 | Joback Calculated Property |
| η | 0.0001411 | Pa×s | 708.92 | Joback Calculated Property |
| η | 0.0001029 | Pa×s | 764.15 | Joback Calculated Property |
| η | 0.0000784 | Pa×s | 819.39 | Joback Calculated Property |
| η | 0.0000617 | Pa×s | 874.62 | Joback Calculated Property |
| η | 0.0000500 | Pa×s | 929.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2,6-dichlorophenyl pentyl ester.
Sources
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