- InChI
- InChI=1S/C28H44O4/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/h6,8,19-21,24H,3-5,7,9-18,22-23H2,1-2H3/b8-6-
- InChI Key
- LPEXOTIFECGJQD-VURMDHGXSA-N
- Formula
- C28H44O4
- SMILES
-
CCC=CCCOC(=O)c1cccc(C(=O)OCCCC
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 | 1.2236 | Relay (... Calculated Property | |
| ΔfG° | -99.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -939.79 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 67.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.49 | kJ/mol | Relay (... Calculated Property |
| IE | 9.10 | eV | Relay (... Calculated Property |
| log10WS | -7.95 | Relay (... Calculated Property | |
| logPoct/wat | 8.058 | Crippen Calculated Property | |
| McVol | 392.200 | ml/mol | McGowan Calculated Property |
| Pc | 842.11 | kPa | Joback Calculated Property |
| Inp | 3251.00 | NIST | |
| Tboil | 695.70 | K | Relay (... Calculated Property |
| Tc | 892.43 | K | Relay (... Calculated Property |
| Tfus | 280.30 | K | Relay (... Calculated Property |
| Vc | 1.459 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1340.94; 1427.36] | J/mol×K | [1028.44; 1262.21] | 
|
| Cp,gas | 1340.94 | J/mol×K | 1028.44 | Joback Calculated Property |
| Cp,gas | 1358.94 | J/mol×K | 1067.40 | Joback Calculated Property |
| Cp,gas | 1375.39 | J/mol×K | 1106.36 | Joback Calculated Property |
| Cp,gas | 1390.37 | J/mol×K | 1145.33 | Joback Calculated Property |
| Cp,gas | 1403.97 | J/mol×K | 1184.29 | Joback Calculated Property |
| Cp,gas | 1416.27 | J/mol×K | 1223.25 | Joback Calculated Property |
| Cp,gas | 1427.36 | J/mol×K | 1262.21 | Joback Calculated Property |
| η | [0.0000147; 0.0002193] | Pa×s | [583.50; 1028.44] |
|
| η | 0.0002193 | Pa×s | 583.50 | Joback Calculated Property |
| η | 0.0001085 | Pa×s | 657.66 | Joback Calculated Property |
| η | 0.0000619 | Pa×s | 731.81 | Joback Calculated Property |
| η | 0.0000392 | Pa×s | 805.97 | Joback Calculated Property |
| η | 0.0000268 | Pa×s | 880.13 | Joback Calculated Property |
| η | 0.0000194 | Pa×s | 954.28 | Joback Calculated Property |
| η | 0.0000147 | Pa×s | 1028.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, cis-hex-3-enyl tetradecyl ester.
Sources
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