- InChI
- InChI=1S/C19H15Cl5O4/c1-2-3-4-8-27-18(25)10-6-5-7-11(9-10)19(26)28-17-15(23)13(21)12(20)14(22)16(17)24/h5-7,9H,2-4,8H2,1H3
- InChI Key
- HLZIMBQKVPWIMC-UHFFFAOYSA-N
- Formula
- C19H15Cl5O4
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)Oc2c(Cl
)c(Cl)c(Cl)c(Cl)c2Cl)c1 - Molecular Weight1
- 484.58
- 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° | -251.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -599.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.65 | kJ/mol | Joback Calculated Property |
| log10WS | -8.90 | Crippen Calculated Property | |
| logPoct/wat | 7.520 | Crippen Calculated Property | |
| McVol | 307.130 | ml/mol | McGowan Calculated Property |
| Pc | 1522.31 | kPa | Joback Calculated Property |
| Inp | [3320.00; 3320.00] |
|
|
| Inp | 3320.00 | NIST | |
| Inp | 3320.00 | NIST | |
| Tboil | 1057.09 | K | Joback Calculated Property |
| Tc | 1305.32 | K | Joback Calculated Property |
| Tfus | 725.77 | K | Joback Calculated Property |
| Vc | 1.177 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [811.99; 831.22] | J/mol×K | [1057.09; 1305.32] |
|
| Cp,gas | 811.99 | J/mol×K | 1057.09 | Joback Calculated Property |
| Cp,gas | 818.56 | J/mol×K | 1098.46 | Joback Calculated Property |
| Cp,gas | 823.75 | J/mol×K | 1139.83 | Joback Calculated Property |
| Cp,gas | 827.58 | J/mol×K | 1181.20 | Joback Calculated Property |
| Cp,gas | 830.06 | J/mol×K | 1222.57 | Joback Calculated Property |
| Cp,gas | 831.22 | J/mol×K | 1263.95 | Joback Calculated Property |
| Cp,gas | 831.06 | J/mol×K | 1305.32 | Joback Calculated Property |
| η | [0.0000329; 0.0001461] | Pa×s | [725.77; 1057.09] |
|
| η | 0.0001461 | Pa×s | 725.77 | Joback Calculated Property |
| η | 0.0001043 | Pa×s | 780.99 | Joback Calculated Property |
| η | 0.0000779 | Pa×s | 836.21 | Joback Calculated Property |
| η | 0.0000603 | Pa×s | 891.43 | Joback Calculated Property |
| η | 0.0000481 | Pa×s | 946.65 | Joback Calculated Property |
| η | 0.0000394 | Pa×s | 1001.87 | Joback Calculated Property |
| η | 0.0000329 | Pa×s | 1057.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, pentachlorophenyl pentyl ester.
Sources
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