- InChI
- InChI=1S/C29H40O4/c1-4-5-6-7-8-9-10-11-12-15-21-32-28(30)24-17-16-18-25(22-24)29(31)33-27-20-14-13-19-26(27)23(2)3/h13-14,16-20,22-23H,4-12,15,21H2,1-3H3
- InChI Key
- PLVMGQUUSJIIJV-UHFFFAOYSA-N
- Formula
- C29H40O4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1cccc(C(=O)
Oc2ccccc2C(C)C)c1 - Molecular Weight1
- 452.63
- 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° | -71.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -686.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.95 | kJ/mol | Joback Calculated Property |
| log10WS | -9.59 | Crippen Calculated Property | |
| logPoct/wat | 8.107 | Crippen Calculated Property | |
| McVol | 386.830 | ml/mol | McGowan Calculated Property |
| Pc | 935.20 | kPa | Joback Calculated Property |
| Inp | [3450.00; 3450.00] |
|
|
| Inp | 3450.00 | NIST | |
| Inp | 3450.00 | NIST | |
| Tboil | 1078.38 | K | Joback Calculated Property |
| Tc | 1320.68 | K | Joback Calculated Property |
| Tfus | 623.79 | K | Joback Calculated Property |
| Vc | 1.486 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1321.48; 1384.66] | J/mol×K | [1078.38; 1320.68] |
|
| Cp,gas | 1321.48 | J/mol×K | 1078.38 | Joback Calculated Property |
| Cp,gas | 1336.07 | J/mol×K | 1118.76 | Joback Calculated Property |
| Cp,gas | 1348.93 | J/mol×K | 1159.15 | Joback Calculated Property |
| Cp,gas | 1360.13 | J/mol×K | 1199.53 | Joback Calculated Property |
| Cp,gas | 1369.77 | J/mol×K | 1239.91 | Joback Calculated Property |
| Cp,gas | 1377.92 | J/mol×K | 1280.30 | Joback Calculated Property |
| Cp,gas | 1384.66 | J/mol×K | 1320.68 | Joback Calculated Property |
| η | [0.0000139; 0.0001793] | Pa×s | [623.79; 1078.38] |
|
| η | 0.0001793 | Pa×s | 623.79 | Joback Calculated Property |
| η | 0.0000930 | Pa×s | 699.55 | Joback Calculated Property |
| η | 0.0000549 | Pa×s | 775.32 | Joback Calculated Property |
| η | 0.0000355 | Pa×s | 851.09 | Joback Calculated Property |
| η | 0.0000247 | Pa×s | 926.85 | Joback Calculated Property |
| η | 0.0000182 | Pa×s | 1002.62 | Joback Calculated Property |
| η | 0.0000139 | Pa×s | 1078.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, dodecyl 2-isopropylphenyl ester.
Sources
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