- InChI
- InChI=1S/C22H26O4/c1-2-3-7-15-25-21(23)19-13-8-14-20(17-19)22(24)26-16-9-12-18-10-5-4-6-11-18/h4-6,8,10-11,13-14,17H,2-3,7,9,12,15-16H2,1H3
- InChI Key
- NPFWUMKNSHJKFM-UHFFFAOYSA-N
- Formula
- C22H26O4
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)OCCCc2c
cccc2)c1 - Molecular Weight1
- 354.44
- 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 | 0.9766 | Relay (1.0) Calculated Property | |
| ΔfG° | -118.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -645.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.823 | Crippen Calculated Property | |
| McVol | 288.200 | ml/mol | McGowan Calculated Property |
| Pc | 1489.58 | kPa | Joback Calculated Property |
| Inp | [2897.00; 2897.00] |
|
|
| Inp | 2897.00 | NIST | |
| Inp | 2897.00 | NIST | |
| Tboil | 683.21 | K | Relay (1.0) Calculated Property |
| Tc | 909.56 | K | Relay (1.0) Calculated Property |
| Tfus | 297.43 | K | Relay (1.0) Calculated Property |
| Vc | 1.073 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [897.84; 964.94] | J/mol×K | [913.68; 1135.36] |
|
| Cp,gas | 897.84 | J/mol×K | 913.68 | Joback Calculated Property |
| Cp,gas | 912.17 | J/mol×K | 950.63 | Joback Calculated Property |
| Cp,gas | 925.19 | J/mol×K | 987.57 | Joback Calculated Property |
| Cp,gas | 936.93 | J/mol×K | 1024.52 | Joback Calculated Property |
| Cp,gas | 947.44 | J/mol×K | 1061.47 | Joback Calculated Property |
| Cp,gas | 956.76 | J/mol×K | 1098.41 | Joback Calculated Property |
| Cp,gas | 964.94 | J/mol×K | 1135.36 | Joback Calculated Property |
| η | [0.0000424; 0.0004215] | Pa×s | [547.38; 913.68] |
|
| η | 0.0004215 | Pa×s | 547.38 | Joback Calculated Property |
| η | 0.0002373 | Pa×s | 608.43 | Joback Calculated Property |
| η | 0.0001483 | Pa×s | 669.48 | Joback Calculated Property |
| η | 0.0001003 | Pa×s | 730.53 | Joback Calculated Property |
| η | 0.0000721 | Pa×s | 791.58 | Joback Calculated Property |
| η | 0.0000543 | Pa×s | 852.63 | Joback Calculated Property |
| η | 0.0000424 | Pa×s | 913.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, pentyl 3-phenylpropyl ester.
Sources
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