- InChI
- InChI=1S/C23H28O4/c1-4-21(18-11-6-5-7-12-18)27-23(25)20-14-8-13-19(16-20)22(24)26-15-9-10-17(2)3/h5-8,11-14,16-17,21H,4,9-10,15H2,1-3H3
- InChI Key
- AFOPGAVZGYENMZ-UHFFFAOYSA-N
- Formula
- C23H28O4
- SMILES
-
CCC(OC(=O)c1cccc(C(=O)OCCCC(C)
C)c1)c1ccccc1 - Molecular Weight1
- 368.47
- 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 | 0.9152 | Relay (1.0) Calculated Property | |
| ΔfG° | -114.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -694.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.588 | Crippen Calculated Property | |
| McVol | 302.290 | ml/mol | McGowan Calculated Property |
| Pc | 1401.69 | kPa | Joback Calculated Property |
| Inp | [2795.00; 2795.00] |
|
|
| Inp | 2795.00 | NIST | |
| Inp | 2795.00 | NIST | |
| Tboil | 668.52 | K | Relay (1.0) Calculated Property |
| Tc | 911.82 | K | Relay (1.0) Calculated Property |
| Tfus | 323.36 | K | Relay (1.0) Calculated Property |
| Vc | 1.097 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [957.93; 1024.91] | J/mol×K | [935.68; 1161.36] |
|
| Cp,gas | 957.93 | J/mol×K | 935.68 | Joback Calculated Property |
| Cp,gas | 972.48 | J/mol×K | 973.29 | Joback Calculated Property |
| Cp,gas | 985.61 | J/mol×K | 1010.91 | Joback Calculated Property |
| Cp,gas | 997.36 | J/mol×K | 1048.52 | Joback Calculated Property |
| Cp,gas | 1007.80 | J/mol×K | 1086.13 | Joback Calculated Property |
| Cp,gas | 1016.97 | J/mol×K | 1123.75 | Joback Calculated Property |
| Cp,gas | 1024.91 | J/mol×K | 1161.36 | Joback Calculated Property |
| η | [0.0000306; 0.0004639] | Pa×s | [528.65; 935.68] |
|
| η | 0.0004639 | Pa×s | 528.65 | Joback Calculated Property |
| η | 0.0002279 | Pa×s | 596.49 | Joback Calculated Property |
| η | 0.0001294 | Pa×s | 664.33 | Joback Calculated Property |
| η | 0.0000816 | Pa×s | 732.17 | Joback Calculated Property |
| η | 0.0000557 | Pa×s | 800.00 | Joback Calculated Property |
| η | 0.0000403 | Pa×s | 867.84 | Joback Calculated Property |
| η | 0.0000306 | Pa×s | 935.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isohexyl 1-phenylpropyl ester.
Sources
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