- InChI
- InChI=1S/C27H36O4/c1-4-5-6-7-8-9-10-13-19-30-26(28)22-15-14-16-23(20-22)27(29)31-25-18-12-11-17-24(25)21(2)3/h11-12,14-18,20-21H,4-10,13,19H2,1-3H3
- InChI Key
- IBBVJECPUREMSJ-UHFFFAOYSA-N
- Formula
- C27H36O4
- SMILES
-
CCCCCCCCCCOC(=O)c1cccc(C(=O)Oc
2ccccc2C(C)C)c1 - Molecular Weight1
- 424.57
- 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° | -88.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -645.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.50 | kJ/mol | Joback Calculated Property |
| log10WS | -8.75 | Crippen Calculated Property | |
| logPoct/wat | 7.327 | Crippen Calculated Property | |
| McVol | 358.650 | ml/mol | McGowan Calculated Property |
| Pc | 1055.51 | kPa | Joback Calculated Property |
| Inp | [3244.00; 3244.00] |
|
|
| Inp | 3244.00 | NIST | |
| Inp | 3244.00 | NIST | |
| Tboil | 1032.62 | K | Joback Calculated Property |
| Tc | 1264.92 | K | Joback Calculated Property |
| Tfus | 601.25 | K | Joback Calculated Property |
| Vc | 1.373 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1198.18; 1262.38] | J/mol×K | [1032.62; 1264.92] |
|
| Cp,gas | 1198.18 | J/mol×K | 1032.62 | Joback Calculated Property |
| Cp,gas | 1212.63 | J/mol×K | 1071.34 | Joback Calculated Property |
| Cp,gas | 1225.49 | J/mol×K | 1110.05 | Joback Calculated Property |
| Cp,gas | 1236.84 | J/mol×K | 1148.77 | Joback Calculated Property |
| Cp,gas | 1246.72 | J/mol×K | 1187.49 | Joback Calculated Property |
| Cp,gas | 1255.22 | J/mol×K | 1226.20 | Joback Calculated Property |
| Cp,gas | 1262.38 | J/mol×K | 1264.92 | Joback Calculated Property |
| η | [0.0000189; 0.0002297] | Pa×s | [601.25; 1032.62] |
|
| η | 0.0002297 | Pa×s | 601.25 | Joback Calculated Property |
| η | 0.0001214 | Pa×s | 673.14 | Joback Calculated Property |
| η | 0.0000725 | Pa×s | 745.04 | Joback Calculated Property |
| η | 0.0000475 | Pa×s | 816.93 | Joback Calculated Property |
| η | 0.0000333 | Pa×s | 888.83 | Joback Calculated Property |
| η | 0.0000246 | Pa×s | 960.72 | Joback Calculated Property |
| η | 0.0000189 | Pa×s | 1032.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, decyl 2-isopropylphenyl ester.
Sources
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