- InChI
- InChI=1S/C28H38O4/c1-4-5-6-7-8-9-10-11-14-20-31-27(29)23-16-15-17-24(21-23)28(30)32-26-19-13-12-18-25(26)22(2)3/h12-13,15-19,21-22H,4-11,14,20H2,1-3H3
- InChI Key
- OQDGMYUEKMWMQO-UHFFFAOYSA-N
- Formula
- C28H38O4
- SMILES
-
CCCCCCCCCCCOC(=O)c1cccc(C(=O)O
c2ccccc2C(C)C)c1 - Molecular Weight1
- 438.60
- 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° | -79.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -666.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.72 | kJ/mol | Joback Calculated Property |
| log10WS | -9.17 | Crippen Calculated Property | |
| logPoct/wat | 7.717 | Crippen Calculated Property | |
| McVol | 372.740 | ml/mol | McGowan Calculated Property |
| Pc | 992.63 | kPa | Joback Calculated Property |
| Inp | [3346.00; 3346.00] |
|
|
| Inp | 3346.00 | NIST | |
| Inp | 3346.00 | NIST | |
| Tboil | 1055.50 | K | Joback Calculated Property |
| Tc | 1292.24 | K | Joback Calculated Property |
| Tfus | 612.52 | K | Joback Calculated Property |
| Vc | 1.429 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1259.67; 1323.36] | J/mol×K | [1055.50; 1292.24] |
|
| Cp,gas | 1259.67 | J/mol×K | 1055.50 | Joback Calculated Property |
| Cp,gas | 1274.17 | J/mol×K | 1094.96 | Joback Calculated Property |
| Cp,gas | 1287.03 | J/mol×K | 1134.41 | Joback Calculated Property |
| Cp,gas | 1298.31 | J/mol×K | 1173.87 | Joback Calculated Property |
| Cp,gas | 1308.07 | J/mol×K | 1213.32 | Joback Calculated Property |
| Cp,gas | 1316.40 | J/mol×K | 1252.78 | Joback Calculated Property |
| Cp,gas | 1323.36 | J/mol×K | 1292.24 | Joback Calculated Property |
| η | [0.0000163; 0.0002032] | Pa×s | [612.52; 1055.50] |
|
| η | 0.0002032 | Pa×s | 612.52 | Joback Calculated Property |
| η | 0.0001064 | Pa×s | 686.35 | Joback Calculated Property |
| η | 0.0000631 | Pa×s | 760.18 | Joback Calculated Property |
| η | 0.0000411 | Pa×s | 834.01 | Joback Calculated Property |
| η | 0.0000287 | Pa×s | 907.84 | Joback Calculated Property |
| η | 0.0000211 | Pa×s | 981.67 | Joback Calculated Property |
| η | 0.0000163 | Pa×s | 1055.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-isopropylphenyl undecyl ester.
Sources
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