- InChI
- InChI=1S/C16H22O4/c1-5-9-19-15(17)13-7-6-8-14(10-13)16(18)20-12(4)11(2)3/h6-8,10-12H,5,9H2,1-4H3
- InChI Key
- NBSJJCMQBWSTJY-UHFFFAOYSA-N
- Formula
- C16H22O4
- SMILES
-
CCCOC(=O)c1cccc(C(=O)OC(C)C(C)
C)c1 - Molecular Weight1
- 278.34
- 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° | -286.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -648.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.68 | kJ/mol | Joback Calculated Property |
| log10WS | -4.34 | Crippen Calculated Property | |
| logPoct/wat | 3.455 | Crippen Calculated Property | |
| McVol | 227.420 | ml/mol | McGowan Calculated Property |
| Pc | 1841.99 | kPa | Joback Calculated Property |
| Inp | 2015.00 | NIST | |
| Tboil | 748.84 | K | Joback Calculated Property |
| Tc | 956.66 | K | Joback Calculated Property |
| Tfus | 423.34 | K | Joback Calculated Property |
| Vc | 0.860 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [649.54; 727.62] | J/mol×K | [748.84; 956.66] | 
|
| Cp,gas | 649.54 | J/mol×K | 748.84 | Joback Calculated Property |
| Cp,gas | 665.13 | J/mol×K | 783.48 | Joback Calculated Property |
| Cp,gas | 679.68 | J/mol×K | 818.11 | Joback Calculated Property |
| Cp,gas | 693.19 | J/mol×K | 852.75 | Joback Calculated Property |
| Cp,gas | 705.67 | J/mol×K | 887.39 | Joback Calculated Property |
| Cp,gas | 717.14 | J/mol×K | 922.02 | Joback Calculated Property |
| Cp,gas | 727.62 | J/mol×K | 956.66 | Joback Calculated Property |
| η | [0.0000793; 0.0011585] | Pa×s | [423.34; 748.84] |
|
| η | 0.0011585 | Pa×s | 423.34 | Joback Calculated Property |
| η | 0.0005749 | Pa×s | 477.59 | Joback Calculated Property |
| η | 0.0003291 | Pa×s | 531.84 | Joback Calculated Property |
| η | 0.0002089 | Pa×s | 586.09 | Joback Calculated Property |
| η | 0.0001432 | Pa×s | 640.34 | Joback Calculated Property |
| η | 0.0001042 | Pa×s | 694.59 | Joback Calculated Property |
| η | 0.0000793 | Pa×s | 748.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3-methylbut-2-yl propyl ester.
Sources
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