- InChI
- InChI=1S/C28H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-31-27(29)25-19-16-20-26(22-25)28(30)32-23-24-17-13-14-18-24/h16,19-20,22,24H,2-15,17-18,21,23H2,1H3
- InChI Key
- QUYCSQDKMDCPNM-UHFFFAOYSA-N
- Formula
- C28H44O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)c1cccc(C(=
O)OCC2CCCC2)c1 - Molecular Weight1
- 444.65
- 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° | -143.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -825.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.43 | kJ/mol | Joback Calculated Property |
| log10WS | -9.14 | Crippen Calculated Property | |
| logPoct/wat | 7.891 | Crippen Calculated Property | |
| McVol | 385.640 | ml/mol | McGowan Calculated Property |
| Pc | 908.34 | kPa | Joback Calculated Property |
| Inp | [3607.00; 3607.00] |
|
|
| Inp | 3607.00 | NIST | |
| Inp | 3607.00 | NIST | |
| Tboil | 1039.56 | K | Joback Calculated Property |
| Tc | 1273.30 | K | Joback Calculated Property |
| Tfus | 599.48 | K | Joback Calculated Property |
| Vc | 1.484 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1360.04; 1439.21] | J/mol×K | [1039.56; 1273.30] |
|
| Cp,gas | 1360.04 | J/mol×K | 1039.56 | Joback Calculated Property |
| Cp,gas | 1377.31 | J/mol×K | 1078.52 | Joback Calculated Property |
| Cp,gas | 1392.84 | J/mol×K | 1117.47 | Joback Calculated Property |
| Cp,gas | 1406.71 | J/mol×K | 1156.43 | Joback Calculated Property |
| Cp,gas | 1419.00 | J/mol×K | 1195.39 | Joback Calculated Property |
| Cp,gas | 1429.81 | J/mol×K | 1234.34 | Joback Calculated Property |
| Cp,gas | 1439.21 | J/mol×K | 1273.30 | Joback Calculated Property |
| η | [0.0000258; 0.0003221] | Pa×s | [599.48; 1039.56] |
|
| η | 0.0003221 | Pa×s | 599.48 | Joback Calculated Property |
| η | 0.0001681 | Pa×s | 672.83 | Joback Calculated Property |
| η | 0.0000997 | Pa×s | 746.17 | Joback Calculated Property |
| η | 0.0000649 | Pa×s | 819.52 | Joback Calculated Property |
| η | 0.0000454 | Pa×s | 892.87 | Joback Calculated Property |
| η | 0.0000335 | Pa×s | 966.21 | Joback Calculated Property |
| η | 0.0000258 | Pa×s | 1039.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, cyclopentylmethyl tetradecyl ester.
Sources
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