- InChI
- InChI=1S/C25H31ClO4/c1-3-4-5-6-7-8-9-10-16-29-24(27)20-12-11-13-21(18-20)25(28)30-22-14-15-23(26)19(2)17-22/h11-15,17-18H,3-10,16H2,1-2H3
- InChI Key
- KXJSBXLCSJWDJT-UHFFFAOYSA-N
- Formula
- C25H31ClO4
- SMILES
-
CCCCCCCCCCOC(=O)c1cccc(C(=O)Oc
2ccc(Cl)c(C)c2)c1 - Molecular Weight1
- 430.96
- 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° | -124.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -626.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.48 | kJ/mol | Joback Calculated Property |
| log10WS | -8.73 | Crippen Calculated Property | |
| logPoct/wat | 7.165 | Crippen Calculated Property | |
| McVol | 342.710 | ml/mol | McGowan Calculated Property |
| Pc | 1152.22 | kPa | Joback Calculated Property |
| Inp | [3429.00; 3429.00] |
|
|
| Inp | 3429.00 | NIST | |
| Inp | 3429.00 | NIST | |
| Tboil | 1029.71 | K | Joback Calculated Property |
| Tc | 1262.57 | K | Joback Calculated Property |
| Tfus | 636.15 | K | Joback Calculated Property |
| Vc | 1.317 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1097.12; 1152.76] | J/mol×K | [1029.71; 1262.57] |
|
| Cp,gas | 1097.12 | J/mol×K | 1029.71 | Joback Calculated Property |
| Cp,gas | 1109.97 | J/mol×K | 1068.52 | Joback Calculated Property |
| Cp,gas | 1121.32 | J/mol×K | 1107.33 | Joback Calculated Property |
| Cp,gas | 1131.23 | J/mol×K | 1146.14 | Joback Calculated Property |
| Cp,gas | 1139.73 | J/mol×K | 1184.95 | Joback Calculated Property |
| Cp,gas | 1146.90 | J/mol×K | 1223.76 | Joback Calculated Property |
| Cp,gas | 1152.76 | J/mol×K | 1262.57 | Joback Calculated Property |
| η | [0.0000244; 0.0001982] | Pa×s | [636.15; 1029.71] |
|
| η | 0.0001982 | Pa×s | 636.15 | Joback Calculated Property |
| η | 0.0001188 | Pa×s | 701.74 | Joback Calculated Property |
| η | 0.0000777 | Pa×s | 767.34 | Joback Calculated Property |
| η | 0.0000543 | Pa×s | 832.93 | Joback Calculated Property |
| η | 0.0000400 | Pa×s | 898.52 | Joback Calculated Property |
| η | 0.0000307 | Pa×s | 964.12 | Joback Calculated Property |
| η | 0.0000244 | Pa×s | 1029.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-chloro-3-methylphenyl decyl ester.
Sources
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