- InChI
- InChI=1S/C21H21Cl3O4/c1-2-3-4-5-6-10-27-20(25)14-8-7-9-15(11-14)21(26)28-19-17(23)12-16(22)13-18(19)24/h7-9,11-13H,2-6,10H2,1H3
- InChI Key
- NCMAMLIQDGCWLP-UHFFFAOYSA-N
- Formula
- C21H21Cl3O4
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(=O)Oc2c(
Cl)cc(Cl)cc2Cl)c1 - Molecular Weight1
- 443.75
- 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° | -191.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -586.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.01 | kJ/mol | Joback Calculated Property |
| log10WS | -8.37 | Crippen Calculated Property | |
| logPoct/wat | 6.993 | Crippen Calculated Property | |
| McVol | 310.830 | ml/mol | McGowan Calculated Property |
| Pc | 1422.92 | kPa | Joback Calculated Property |
| Inp | [3206.00; 3206.00] |
|
|
| Inp | 3206.00 | NIST | |
| Inp | 3206.00 | NIST | |
| Tboil | 1018.03 | K | Joback Calculated Property |
| Tc | 1255.93 | K | Joback Calculated Property |
| Tfus | 663.43 | K | Joback Calculated Property |
| Vc | 1.190 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [898.28; 937.30] | J/mol×K | [1018.03; 1255.93] |
|
| Cp,gas | 898.28 | J/mol×K | 1018.03 | Joback Calculated Property |
| Cp,gas | 908.06 | J/mol×K | 1057.68 | Joback Calculated Property |
| Cp,gas | 916.48 | J/mol×K | 1097.33 | Joback Calculated Property |
| Cp,gas | 923.58 | J/mol×K | 1136.98 | Joback Calculated Property |
| Cp,gas | 929.40 | J/mol×K | 1176.63 | Joback Calculated Property |
| Cp,gas | 933.96 | J/mol×K | 1216.28 | Joback Calculated Property |
| Cp,gas | 937.30 | J/mol×K | 1255.93 | Joback Calculated Property |
| η | [0.0000325; 0.0001938] | Pa×s | [663.43; 1018.03] |
|
| η | 0.0001938 | Pa×s | 663.43 | Joback Calculated Property |
| η | 0.0001274 | Pa×s | 722.53 | Joback Calculated Property |
| η | 0.0000893 | Pa×s | 781.63 | Joback Calculated Property |
| η | 0.0000658 | Pa×s | 840.73 | Joback Calculated Property |
| η | 0.0000504 | Pa×s | 899.83 | Joback Calculated Property |
| η | 0.0000399 | Pa×s | 958.93 | Joback Calculated Property |
| η | 0.0000325 | Pa×s | 1018.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, heptyl 2,4,6-trichlorophenyl ester.
Sources
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