- InChI
- InChI=1S/C26H33ClO4/c1-2-3-4-5-6-7-8-9-10-11-19-30-25(28)21-13-12-14-22(20-21)26(29)31-24-17-15-23(27)16-18-24/h12-18,20H,2-11,19H2,1H3
- InChI Key
- IBYBWSHZDQBAQT-UHFFFAOYSA-N
- Formula
- C26H33ClO4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1cccc(C(=O)
Oc2ccc(Cl)cc2)c1 - Molecular Weight1
- 444.99
- 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° | -106.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -635.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.04 | kJ/mol | Joback Calculated Property |
| log10WS | -9.09 | Crippen Calculated Property | |
| logPoct/wat | 7.637 | Crippen Calculated Property | |
| McVol | 356.800 | ml/mol | McGowan Calculated Property |
| Pc | 1091.38 | kPa | Joback Calculated Property |
| Inp | 3542.00 | NIST | |
| Tboil | 1047.61 | K | Joback Calculated Property |
| Tc | 1283.06 | K | Joback Calculated Property |
| Tfus | 634.90 | K | Joback Calculated Property |
| Vc | 1.373 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1158.89; 1216.16] | J/mol×K | [1047.61; 1283.06] | 
|
| Cp,gas | 1158.89 | J/mol×K | 1047.61 | Joback Calculated Property |
| Cp,gas | 1172.00 | J/mol×K | 1086.85 | Joback Calculated Property |
| Cp,gas | 1183.59 | J/mol×K | 1126.09 | Joback Calculated Property |
| Cp,gas | 1193.74 | J/mol×K | 1165.33 | Joback Calculated Property |
| Cp,gas | 1202.51 | J/mol×K | 1204.57 | Joback Calculated Property |
| Cp,gas | 1209.96 | J/mol×K | 1243.81 | Joback Calculated Property |
| Cp,gas | 1216.16 | J/mol×K | 1283.06 | Joback Calculated Property |
| η | [0.0000204; 0.0001941] | Pa×s | [634.90; 1047.61] |
|
| η | 0.0001941 | Pa×s | 634.90 | Joback Calculated Property |
| η | 0.0001110 | Pa×s | 703.68 | Joback Calculated Property |
| η | 0.0000701 | Pa×s | 772.47 | Joback Calculated Property |
| η | 0.0000477 | Pa×s | 841.25 | Joback Calculated Property |
| η | 0.0000344 | Pa×s | 910.04 | Joback Calculated Property |
| η | 0.0000260 | Pa×s | 978.82 | Joback Calculated Property |
| η | 0.0000204 | Pa×s | 1047.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-chlorophenyl dodecyl ester.
Sources
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