- InChI
- InChI=1S/C19H17Cl3O4/c1-2-3-4-8-25-18(23)12-6-5-7-13(9-12)19(24)26-17-15(21)10-14(20)11-16(17)22/h5-7,9-11H,2-4,8H2,1H3
- InChI Key
- ORONDZAYKDKYQE-UHFFFAOYSA-N
- Formula
- C19H17Cl3O4
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)Oc2c(Cl
)cc(Cl)cc2Cl)c1 - Molecular Weight1
- 415.69
- 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° | -208.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -545.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.55 | kJ/mol | Joback Calculated Property |
| log10WS | -7.53 | Crippen Calculated Property | |
| logPoct/wat | 6.213 | Crippen Calculated Property | |
| McVol | 282.650 | ml/mol | McGowan Calculated Property |
| Pc | 1653.80 | kPa | Joback Calculated Property |
| Inp | [2994.00; 2994.00] |
|
|
| Inp | 2994.00 | NIST | |
| Inp | 2994.00 | NIST | |
| Tboil | 972.27 | K | Joback Calculated Property |
| Tc | 1210.51 | K | Joback Calculated Property |
| Tfus | 640.89 | K | Joback Calculated Property |
| Vc | 1.079 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [783.33; 822.41] | J/mol×K | [972.27; 1210.51] |
|
| Cp,gas | 783.33 | J/mol×K | 972.27 | Joback Calculated Property |
| Cp,gas | 792.96 | J/mol×K | 1011.98 | Joback Calculated Property |
| Cp,gas | 801.32 | J/mol×K | 1051.68 | Joback Calculated Property |
| Cp,gas | 808.41 | J/mol×K | 1091.39 | Joback Calculated Property |
| Cp,gas | 814.28 | J/mol×K | 1131.10 | Joback Calculated Property |
| Cp,gas | 818.93 | J/mol×K | 1170.81 | Joback Calculated Property |
| Cp,gas | 822.41 | J/mol×K | 1210.51 | Joback Calculated Property |
| η | [0.0000437; 0.0002413] | Pa×s | [640.89; 972.27] |
|
| η | 0.0002413 | Pa×s | 640.89 | Joback Calculated Property |
| η | 0.0001621 | Pa×s | 696.12 | Joback Calculated Property |
| η | 0.0001155 | Pa×s | 751.35 | Joback Calculated Property |
| η | 0.0000862 | Pa×s | 806.58 | Joback Calculated Property |
| η | 0.0000668 | Pa×s | 861.81 | Joback Calculated Property |
| η | 0.0000533 | Pa×s | 917.04 | Joback Calculated Property |
| η | 0.0000437 | Pa×s | 972.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, pentyl 2,4,6-trichlorophenyl ester.
Sources
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