- InChI
- InChI=1S/C17H11Cl5O4/c1-2-6-25-16(23)8-4-3-5-9(7-8)17(24)26-15-13(21)11(19)10(18)12(20)14(15)22/h3-5,7H,2,6H2,1H3
- InChI Key
- OAQGQSMDENMZRR-UHFFFAOYSA-N
- Formula
- C17H11Cl5O4
- SMILES
-
CCCOC(=O)c1cccc(C(=O)Oc2c(Cl)c
(Cl)c(Cl)c(Cl)c2Cl)c1 - Molecular Weight1
- 456.53
- 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° | -268.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -558.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.20 | kJ/mol | Joback Calculated Property |
| log10WS | -8.06 | Crippen Calculated Property | |
| logPoct/wat | 6.740 | Crippen Calculated Property | |
| McVol | 278.950 | ml/mol | McGowan Calculated Property |
| Pc | 1778.84 | kPa | Joback Calculated Property |
| Inp | 3120.00 | NIST | |
| Tboil | 1011.33 | K | Joback Calculated Property |
| Tc | 1260.86 | K | Joback Calculated Property |
| Tfus | 703.23 | K | Joback Calculated Property |
| Vc | 1.065 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [699.44; 718.70] | J/mol×K | [1011.33; 1260.86] | 
|
| Cp,gas | 699.44 | J/mol×K | 1011.33 | Joback Calculated Property |
| Cp,gas | 705.86 | J/mol×K | 1052.92 | Joback Calculated Property |
| Cp,gas | 710.98 | J/mol×K | 1094.51 | Joback Calculated Property |
| Cp,gas | 714.82 | J/mol×K | 1136.10 | Joback Calculated Property |
| Cp,gas | 717.39 | J/mol×K | 1177.69 | Joback Calculated Property |
| Cp,gas | 718.68 | J/mol×K | 1219.28 | Joback Calculated Property |
| Cp,gas | 718.70 | J/mol×K | 1260.86 | Joback Calculated Property |
| η | [0.0000444; 0.0001826] | Pa×s | [703.23; 1011.33] |
|
| η | 0.0001826 | Pa×s | 703.23 | Joback Calculated Property |
| η | 0.0001331 | Pa×s | 754.58 | Joback Calculated Property |
| η | 0.0001011 | Pa×s | 805.93 | Joback Calculated Property |
| η | 0.0000793 | Pa×s | 857.28 | Joback Calculated Property |
| η | 0.0000639 | Pa×s | 908.63 | Joback Calculated Property |
| η | 0.0000528 | Pa×s | 959.98 | Joback Calculated Property |
| η | 0.0000444 | Pa×s | 1011.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, pentachlorophenyl propyl ester.
Sources
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