- InChI
- InChI=1S/C28H44O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-23-32-28(30)26-21-19-20-25(24-26)27(29)31-22-17-6-4-2/h4,19-21,24H,2-3,5-18,22-23H2,1H3
- InChI Key
- MEQRYRCELSCZKW-UHFFFAOYSA-N
- Formula
- C28H44O4
- SMILES
-
C=CCCCOC(=O)c1cccc(C(=O)OCCCCC
CCCCCCCCCC)c1 - Molecular Weight1
- 444.65
- 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 | 1.2644 | Relay (1.0) Calculated Property | |
| ΔfG° | -92.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -916.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.058 | Crippen Calculated Property | |
| McVol | 392.200 | ml/mol | McGowan Calculated Property |
| Pc | 837.24 | kPa | Joback Calculated Property |
| Inp | 3252.00 | NIST | |
| Tboil | 717.42 | K | Relay (1.0) Calculated Property |
| Tc | 896.57 | K | Relay (1.0) Calculated Property |
| Tfus | 298.13 | K | Relay (1.0) Calculated Property |
| Vc | 1.465 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1339.18; 1422.61] | J/mol×K | [1020.96; 1253.49] | 
|
| Cp,gas | 1339.18 | J/mol×K | 1020.96 | Joback Calculated Property |
| Cp,gas | 1356.99 | J/mol×K | 1059.72 | Joback Calculated Property |
| Cp,gas | 1373.13 | J/mol×K | 1098.47 | Joback Calculated Property |
| Cp,gas | 1387.69 | J/mol×K | 1137.23 | Joback Calculated Property |
| Cp,gas | 1400.74 | J/mol×K | 1175.98 | Joback Calculated Property |
| Cp,gas | 1412.36 | J/mol×K | 1214.74 | Joback Calculated Property |
| Cp,gas | 1422.61 | J/mol×K | 1253.49 | Joback Calculated Property |
| η | [0.0000181; 0.0002465] | Pa×s | [586.82; 1020.96] |
|
| η | 0.0002465 | Pa×s | 586.82 | Joback Calculated Property |
| η | 0.0001257 | Pa×s | 659.18 | Joback Calculated Property |
| η | 0.0000732 | Pa×s | 731.53 | Joback Calculated Property |
| η | 0.0000470 | Pa×s | 803.89 | Joback Calculated Property |
| η | 0.0000325 | Pa×s | 876.25 | Joback Calculated Property |
| η | 0.0000237 | Pa×s | 948.60 | Joback Calculated Property |
| η | 0.0000181 | Pa×s | 1020.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, pentadecyl pent-4-enyl ester.
Sources
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