- InChI
- InChI=1S/C19H20O4/c1-2-12-22-18(20)16-9-6-10-17(14-16)19(21)23-13-11-15-7-4-3-5-8-15/h3-10,14H,2,11-13H2,1H3
- InChI Key
- UKDZKDHWOQMLRS-UHFFFAOYSA-N
- Formula
- C19H20O4
- SMILES
-
CCCOC(=O)c1cccc(C(=O)OCCc2cccc
c2)c1 - Molecular Weight1
- 312.36
- 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 | 0.8487 | Relay (1.0) Calculated Property | |
| ΔfG° | -296.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -576.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.653 | Crippen Calculated Property | |
| McVol | 245.930 | ml/mol | McGowan Calculated Property |
| Pc | 1758.02 | kPa | Joback Calculated Property |
| Inp | [2565.00; 2565.00] |
|
|
| Inp | 2565.00 | NIST | |
| Inp | 2565.00 | NIST | |
| Tboil | 662.03 | K | Relay (1.0) Calculated Property |
| Tc | 888.27 | K | Relay (1.0) Calculated Property |
| Tfus | 287.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.915 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [714.95; 782.50] | J/mol×K | [809.10; 1031.43] |
|
| Cp,gas | 714.95 | J/mol×K | 809.10 | Joback Calculated Property |
| Cp,gas | 729.47 | J/mol×K | 846.16 | Joback Calculated Property |
| Cp,gas | 742.63 | J/mol×K | 883.21 | Joback Calculated Property |
| Cp,gas | 754.48 | J/mol×K | 920.27 | Joback Calculated Property |
| Cp,gas | 765.05 | J/mol×K | 957.32 | Joback Calculated Property |
| Cp,gas | 774.37 | J/mol×K | 994.38 | Joback Calculated Property |
| Cp,gas | 782.50 | J/mol×K | 1031.43 | Joback Calculated Property |
| η | [0.0000497; 0.0008169] | Pa×s | [453.91; 809.10] |
|
| η | 0.0008169 | Pa×s | 453.91 | Joback Calculated Property |
| η | 0.0003914 | Pa×s | 513.11 | Joback Calculated Property |
| η | 0.0002184 | Pa×s | 572.31 | Joback Calculated Property |
| η | 0.0001359 | Pa×s | 631.50 | Joback Calculated Property |
| η | 0.0000918 | Pa×s | 690.70 | Joback Calculated Property |
| η | 0.0000659 | Pa×s | 749.90 | Joback Calculated Property |
| η | 0.0000497 | Pa×s | 809.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, phenylethyl propyl ester.
Sources
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