- InChI
- InChI=1S/C20H22O4/c1-2-13-23-19(21)17-11-6-12-18(15-17)20(22)24-14-7-10-16-8-4-3-5-9-16/h3-6,8-9,11-12,15H,2,7,10,13-14H2,1H3
- InChI Key
- VOBKIGDBPMWSFZ-UHFFFAOYSA-N
- Formula
- C20H22O4
- SMILES
-
CCCOC(=O)c1cccc(C(=O)OCCCc2ccc
cc2)c1 - Molecular Weight1
- 326.39
- 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 | 0.8924 | Relay (1.0) Calculated Property | |
| ΔfG° | -288.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -603.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.043 | Crippen Calculated Property | |
| McVol | 260.020 | ml/mol | McGowan Calculated Property |
| Pc | 1624.60 | kPa | Joback Calculated Property |
| Inp | [2692.00; 2692.00] |
|
|
| Inp | 2692.00 | NIST | |
| Inp | 2692.00 | NIST | |
| Tboil | 672.34 | K | Relay (1.0) Calculated Property |
| Tc | 894.64 | K | Relay (1.0) Calculated Property |
| Tfus | 292.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.969 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [771.40; 839.18] | J/mol×K | [831.98; 1051.96] |
|
| Cp,gas | 771.40 | J/mol×K | 831.98 | Joback Calculated Property |
| Cp,gas | 785.98 | J/mol×K | 868.64 | Joback Calculated Property |
| Cp,gas | 799.19 | J/mol×K | 905.31 | Joback Calculated Property |
| Cp,gas | 811.08 | J/mol×K | 941.97 | Joback Calculated Property |
| Cp,gas | 821.68 | J/mol×K | 978.63 | Joback Calculated Property |
| Cp,gas | 831.03 | J/mol×K | 1015.30 | Joback Calculated Property |
| Cp,gas | 839.18 | J/mol×K | 1051.96 | Joback Calculated Property |
| η | [0.0000432; 0.0007339] | Pa×s | [465.18; 831.98] |
|
| η | 0.0007339 | Pa×s | 465.18 | Joback Calculated Property |
| η | 0.0003480 | Pa×s | 526.31 | Joback Calculated Property |
| η | 0.0001927 | Pa×s | 587.45 | Joback Calculated Property |
| η | 0.0001193 | Pa×s | 648.58 | Joback Calculated Property |
| η | 0.0000802 | Pa×s | 709.71 | Joback Calculated Property |
| η | 0.0000574 | Pa×s | 770.85 | Joback Calculated Property |
| η | 0.0000432 | Pa×s | 831.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3-phenylpropyl propyl ester.
Sources
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