- InChI
- InChI=1S/C19H18O5/c1-2-3-11-23-18(21)14-8-6-9-15(12-14)19(22)24-17-10-5-4-7-16(17)13-20/h4-10,12-13H,2-3,11H2,1H3
- InChI Key
- KWFDQRFRXNLTOU-UHFFFAOYSA-N
- Formula
- C19H18O5
- SMILES
-
CCCCOC(=O)c1cccc(C(=O)Oc2ccccc
2C=O)c1 - Molecular Weight1
- 326.34
- 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° | -252.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -560.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.80 | kJ/mol | Joback Calculated Property |
| log10WS | -5.30 | Crippen Calculated Property | |
| logPoct/wat | 3.675 | Crippen Calculated Property | |
| McVol | 247.500 | ml/mol | McGowan Calculated Property |
| Pc | 1985.89 | kPa | Joback Calculated Property |
| Inp | [2739.00; 2739.00] |
|
|
| Inp | 2739.00 | NIST | |
| Inp | 2739.00 | NIST | |
| Tboil | 898.68 | K | Joback Calculated Property |
| Tc | 1127.84 | K | Joback Calculated Property |
| Tfus | 568.09 | K | Joback Calculated Property |
| Vc | 0.949 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [733.64; 786.31] | J/mol×K | [898.68; 1127.84] |
|
| Cp,gas | 733.64 | J/mol×K | 898.68 | Joback Calculated Property |
| Cp,gas | 745.45 | J/mol×K | 936.87 | Joback Calculated Property |
| Cp,gas | 756.01 | J/mol×K | 975.07 | Joback Calculated Property |
| Cp,gas | 765.35 | J/mol×K | 1013.26 | Joback Calculated Property |
| Cp,gas | 773.49 | J/mol×K | 1051.46 | Joback Calculated Property |
| Cp,gas | 780.47 | J/mol×K | 1089.65 | Joback Calculated Property |
| Cp,gas | 786.31 | J/mol×K | 1127.84 | Joback Calculated Property |
| η | [0.0000710; 0.0004932] | Pa×s | [568.09; 898.68] |
|
| η | 0.0004932 | Pa×s | 568.09 | Joback Calculated Property |
| η | 0.0003096 | Pa×s | 623.19 | Joback Calculated Property |
| η | 0.0002096 | Pa×s | 678.29 | Joback Calculated Property |
| η | 0.0001504 | Pa×s | 733.38 | Joback Calculated Property |
| η | 0.0001131 | Pa×s | 788.48 | Joback Calculated Property |
| η | 0.0000883 | Pa×s | 843.58 | Joback Calculated Property |
| η | 0.0000710 | Pa×s | 898.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, butyl 2-formylphenyl ester.
Sources
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