- InChI
- InChI=1S/C17H16O4/c1-2-11-20-16(18)13-7-6-8-14(12-13)17(19)21-15-9-4-3-5-10-15/h3-10,12H,2,11H2,1H3
- InChI Key
- YGKACTWREOOWKZ-UHFFFAOYSA-N
- Formula
- C17H16O4
- SMILES
-
CCCOC(=O)c1cccc(C(=O)Oc2ccccc2
)c1 - Molecular Weight1
- 284.31
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -160.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -422.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.96 | kJ/mol | Joback Calculated Property |
| log10WS | -4.64 | Crippen Calculated Property | |
| logPoct/wat | 3.473 | Crippen Calculated Property | |
| McVol | 217.750 | ml/mol | McGowan Calculated Property |
| Pc | 2244.00 | kPa | Joback Calculated Property |
| Inp | [2360.00; 2360.00] |
|
|
| Inp | 2360.00 | NIST | |
| Inp | 2360.00 | NIST | |
| Tboil | 799.28 | K | Joback Calculated Property |
| Tc | 1031.24 | K | Joback Calculated Property |
| Tfus | 491.03 | K | Joback Calculated Property |
| Vc | 0.820 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [612.85; 677.64] | J/mol×K | [799.28; 1031.24] |
|
| Cp,gas | 612.85 | J/mol×K | 799.28 | Joback Calculated Property |
| Cp,gas | 626.62 | J/mol×K | 837.94 | Joback Calculated Property |
| Cp,gas | 639.17 | J/mol×K | 876.60 | Joback Calculated Property |
| Cp,gas | 650.51 | J/mol×K | 915.26 | Joback Calculated Property |
| Cp,gas | 660.68 | J/mol×K | 953.92 | Joback Calculated Property |
| Cp,gas | 669.72 | J/mol×K | 992.58 | Joback Calculated Property |
| Cp,gas | 677.64 | J/mol×K | 1031.24 | Joback Calculated Property |
| η | [0.0000835; 0.0006762] | Pa×s | [491.03; 799.28] |
|
| η | 0.0006762 | Pa×s | 491.03 | Joback Calculated Property |
| η | 0.0004045 | Pa×s | 542.40 | Joback Calculated Property |
| η | 0.0002645 | Pa×s | 593.78 | Joback Calculated Property |
| η | 0.0001851 | Pa×s | 645.15 | Joback Calculated Property |
| η | 0.0001365 | Pa×s | 696.53 | Joback Calculated Property |
| η | 0.0001050 | Pa×s | 747.90 | Joback Calculated Property |
| η | 0.0000835 | Pa×s | 799.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, phenyl propyl ester.
Sources
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