- InChI
- InChI=1S/C19H20O4/c1-4-10-22-18(20)15-6-5-7-16(12-15)19(21)23-17-9-8-13(2)14(3)11-17/h5-9,11-12H,4,10H2,1-3H3
- InChI Key
- WUCWVYNEMBICDK-UHFFFAOYSA-N
- Formula
- C19H20O4
- SMILES
-
CCCOC(=O)c1cccc(C(=O)Oc2ccc(C)
c(C)c2)c1 - Molecular Weight1
- 312.36
- 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° | -162.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -486.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.74 | kJ/mol | Joback Calculated Property |
| log10WS | -5.59 | Crippen Calculated Property | |
| logPoct/wat | 4.089 | Crippen Calculated Property | |
| McVol | 245.930 | ml/mol | McGowan Calculated Property |
| Pc | 1837.26 | kPa | Joback Calculated Property |
| Inp | 2575.00 | NIST | |
| Tboil | 855.00 | K | Joback Calculated Property |
| Tc | 1082.36 | K | Joback Calculated Property |
| Tfus | 538.61 | K | Joback Calculated Property |
| Vc | 0.931 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [722.06; 786.80] | J/mol×K | [855.00; 1082.36] | 
|
| Cp,gas | 722.06 | J/mol×K | 855.00 | Joback Calculated Property |
| Cp,gas | 735.95 | J/mol×K | 892.89 | Joback Calculated Property |
| Cp,gas | 748.57 | J/mol×K | 930.79 | Joback Calculated Property |
| Cp,gas | 759.95 | J/mol×K | 968.68 | Joback Calculated Property |
| Cp,gas | 770.09 | J/mol×K | 1006.57 | Joback Calculated Property |
| Cp,gas | 779.04 | J/mol×K | 1044.46 | Joback Calculated Property |
| Cp,gas | 786.80 | J/mol×K | 1082.36 | Joback Calculated Property |
| η | [0.0000662; 0.0004374] | Pa×s | [538.61; 855.00] |
|
| η | 0.0004374 | Pa×s | 538.61 | Joback Calculated Property |
| η | 0.0002774 | Pa×s | 591.34 | Joback Calculated Property |
| η | 0.0001896 | Pa×s | 644.07 | Joback Calculated Property |
| η | 0.0001373 | Pa×s | 696.81 | Joback Calculated Property |
| η | 0.0001040 | Pa×s | 749.54 | Joback Calculated Property |
| η | 0.0000817 | Pa×s | 802.27 | Joback Calculated Property |
| η | 0.0000662 | Pa×s | 855.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,4-dimethylphenyl propyl ester.
Sources
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