- InChI
- InChI=1S/C23H27ClO4/c1-3-4-5-6-7-8-14-27-22(25)18-10-9-11-19(16-18)23(26)28-20-12-13-21(24)17(2)15-20/h9-13,15-16H,3-8,14H2,1-2H3
- InChI Key
- RJRQIYHAVUDKJY-UHFFFAOYSA-N
- Formula
- C23H27ClO4
- SMILES
-
CCCCCCCCOC(=O)c1cccc(C(=O)Oc2c
cc(Cl)c(C)c2)c1 - Molecular Weight1
- 402.91
- 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° | -141.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -584.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.03 | kJ/mol | Joback Calculated Property |
| log10WS | -7.89 | Crippen Calculated Property | |
| logPoct/wat | 6.385 | Crippen Calculated Property | |
| McVol | 314.530 | ml/mol | McGowan Calculated Property |
| Pc | 1318.48 | kPa | Joback Calculated Property |
| Inp | 3223.00 | NIST | |
| Tboil | 983.95 | K | Joback Calculated Property |
| Tc | 1212.54 | K | Joback Calculated Property |
| Tfus | 613.61 | K | Joback Calculated Property |
| Vc | 1.204 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [977.51; 1033.93] | J/mol×K | [983.95; 1212.54] | 
|
| Cp,gas | 977.51 | J/mol×K | 983.95 | Joback Calculated Property |
| Cp,gas | 990.27 | J/mol×K | 1022.05 | Joback Calculated Property |
| Cp,gas | 1001.64 | J/mol×K | 1060.15 | Joback Calculated Property |
| Cp,gas | 1011.65 | J/mol×K | 1098.25 | Joback Calculated Property |
| Cp,gas | 1020.34 | J/mol×K | 1136.34 | Joback Calculated Property |
| Cp,gas | 1027.76 | J/mol×K | 1174.44 | Joback Calculated Property |
| Cp,gas | 1033.93 | J/mol×K | 1212.54 | Joback Calculated Property |
| η | [0.0000329; 0.0002483] | Pa×s | [613.61; 983.95] |
|
| η | 0.0002483 | Pa×s | 613.61 | Joback Calculated Property |
| η | 0.0001519 | Pa×s | 675.33 | Joback Calculated Property |
| η | 0.0001009 | Pa×s | 737.06 | Joback Calculated Property |
| η | 0.0000714 | Pa×s | 798.78 | Joback Calculated Property |
| η | 0.0000531 | Pa×s | 860.50 | Joback Calculated Property |
| η | 0.0000411 | Pa×s | 922.23 | Joback Calculated Property |
| η | 0.0000329 | Pa×s | 983.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-chloro-3-methylphenyl octyl ester.
Sources
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