- InChI
- InChI=1S/C28H46O4/c1-3-5-7-9-10-11-12-13-14-15-16-18-23-32-28(30)26-21-19-20-25(24-26)27(29)31-22-17-8-6-4-2/h19-21,24H,3-18,22-23H2,1-2H3
- InChI Key
- BEHGUODIBQXYEO-UHFFFAOYSA-N
- Formula
- C28H46O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)c1cccc(C(=
O)OCCCCCC)c1 - Molecular Weight1
- 446.66
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.3061 | Relay (1.0) Calculated Property | |
| ΔfG° | -180.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1008.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 124.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.282 | Crippen Calculated Property | |
| McVol | 396.500 | ml/mol | McGowan Calculated Property |
| Pc | 817.26 | kPa | Joback Calculated Property |
| Inp | [3370.00; 3370.00] |
|
|
| Inp | 3370.00 | NIST | |
| Inp | 3370.00 | NIST | |
| Tboil | 691.00 | K | Relay (1.0) Calculated Property |
| Tc | 890.78 | K | Relay (1.0) Calculated Property |
| Tfus | 300.78 | K | Relay (1.0) Calculated Property |
| Vc | 1.517 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1369.60; 1453.73] | J/mol×K | [1024.28; 1259.00] |
|
| Cp,gas | 1369.60 | J/mol×K | 1024.28 | Joback Calculated Property |
| Cp,gas | 1387.84 | J/mol×K | 1063.40 | Joback Calculated Property |
| Cp,gas | 1404.30 | J/mol×K | 1102.52 | Joback Calculated Property |
| Cp,gas | 1419.05 | J/mol×K | 1141.64 | Joback Calculated Property |
| Cp,gas | 1432.16 | J/mol×K | 1180.76 | Joback Calculated Property |
| Cp,gas | 1443.70 | J/mol×K | 1219.88 | Joback Calculated Property |
| Cp,gas | 1453.73 | J/mol×K | 1259.00 | Joback Calculated Property |
| η | [0.0000167; 0.0002368] | Pa×s | [588.58; 1024.28] |
|
| η | 0.0002368 | Pa×s | 588.58 | Joback Calculated Property |
| η | 0.0001195 | Pa×s | 661.20 | Joback Calculated Property |
| η | 0.0000690 | Pa×s | 733.81 | Joback Calculated Property |
| η | 0.0000440 | Pa×s | 806.43 | Joback Calculated Property |
| η | 0.0000302 | Pa×s | 879.05 | Joback Calculated Property |
| η | 0.0000220 | Pa×s | 951.66 | Joback Calculated Property |
| η | 0.0000167 | Pa×s | 1024.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, hexyl tetradecyl ester.
Sources
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