- InChI
- InChI=1S/C22H24Cl2O4/c1-2-3-4-5-6-7-13-27-21(25)16-9-8-10-17(14-16)22(26)28-20-12-11-18(23)15-19(20)24/h8-12,14-15H,2-7,13H2,1H3
- InChI Key
- VLRZGMSLJUPWIM-UHFFFAOYSA-N
- Formula
- C22H24Cl2O4
- SMILES
-
CCCCCCCCOC(=O)c1cccc(C(=O)Oc2c
cc(Cl)cc2Cl)c1 - Molecular Weight1
- 423.33
- 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° | -161.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -579.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.19 | kJ/mol | Joback Calculated Property |
| log10WS | -8.10 | Crippen Calculated Property | |
| logPoct/wat | 6.730 | Crippen Calculated Property | |
| McVol | 312.680 | ml/mol | McGowan Calculated Property |
| Pc | 1376.84 | kPa | Joback Calculated Property |
| Inp | [3233.00; 3233.00] |
|
|
| Inp | 3233.00 | NIST | |
| Inp | 3233.00 | NIST | |
| Tboil | 998.50 | K | Joback Calculated Property |
| Tc | 1231.29 | K | Joback Calculated Property |
| Tfus | 632.26 | K | Joback Calculated Property |
| Vc | 1.198 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [939.27; 987.84] | J/mol×K | [998.50; 1231.29] |
|
| Cp,gas | 939.27 | J/mol×K | 998.50 | Joback Calculated Property |
| Cp,gas | 950.62 | J/mol×K | 1037.30 | Joback Calculated Property |
| Cp,gas | 960.62 | J/mol×K | 1076.10 | Joback Calculated Property |
| Cp,gas | 969.29 | J/mol×K | 1114.89 | Joback Calculated Property |
| Cp,gas | 976.70 | J/mol×K | 1153.69 | Joback Calculated Property |
| Cp,gas | 982.86 | J/mol×K | 1192.49 | Joback Calculated Property |
| Cp,gas | 987.84 | J/mol×K | 1231.29 | Joback Calculated Property |
| η | [0.0000323; 0.0002287] | Pa×s | [632.26; 998.50] |
|
| η | 0.0002287 | Pa×s | 632.26 | Joback Calculated Property |
| η | 0.0001430 | Pa×s | 693.30 | Joback Calculated Property |
| η | 0.0000964 | Pa×s | 754.34 | Joback Calculated Property |
| η | 0.0000690 | Pa×s | 815.38 | Joback Calculated Property |
| η | 0.0000517 | Pa×s | 876.42 | Joback Calculated Property |
| η | 0.0000402 | Pa×s | 937.46 | Joback Calculated Property |
| η | 0.0000323 | Pa×s | 998.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2,4-dichlorophenyl octyl ester.
Sources
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