- InChI
- InChI=1S/C17H22O4/c1-4-5-6-10-20-16(18)14-8-7-9-15(11-14)17(19)21-12-13(2)3/h4,7-9,11,13H,1,5-6,10,12H2,2-3H3
- InChI Key
- GKKUBJOPDYROQD-UHFFFAOYSA-N
- Formula
- C17H22O4
- SMILES
-
C=CCCCOC(=O)c1cccc(C(=O)OCC(C)
C)c1 - Molecular Weight1
- 290.35
- 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° | -187.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -538.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.63 | kJ/mol | Joback Calculated Property |
| log10WS | -4.50 | Crippen Calculated Property | |
| logPoct/wat | 3.622 | Crippen Calculated Property | |
| McVol | 237.210 | ml/mol | McGowan Calculated Property |
| Pc | 1747.74 | kPa | Joback Calculated Property |
| Inp | 2103.00 | NIST | |
| Tboil | 768.84 | K | Joback Calculated Property |
| Tc | 974.59 | K | Joback Calculated Property |
| Tfus | 447.85 | K | Joback Calculated Property |
| Vc | 0.902 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [679.29; 754.94] | J/mol×K | [768.84; 974.59] | 
|
| Cp,gas | 679.29 | J/mol×K | 768.84 | Joback Calculated Property |
| Cp,gas | 694.40 | J/mol×K | 803.13 | Joback Calculated Property |
| Cp,gas | 708.49 | J/mol×K | 837.42 | Joback Calculated Property |
| Cp,gas | 721.56 | J/mol×K | 871.72 | Joback Calculated Property |
| Cp,gas | 733.65 | J/mol×K | 906.01 | Joback Calculated Property |
| Cp,gas | 744.77 | J/mol×K | 940.30 | Joback Calculated Property |
| Cp,gas | 754.94 | J/mol×K | 974.59 | Joback Calculated Property |
| η | [0.0000803; 0.0009085] | Pa×s | [447.85; 768.84] |
|
| η | 0.0009085 | Pa×s | 447.85 | Joback Calculated Property |
| η | 0.0004887 | Pa×s | 501.35 | Joback Calculated Property |
| η | 0.0002962 | Pa×s | 554.85 | Joback Calculated Property |
| η | 0.0001961 | Pa×s | 608.35 | Joback Calculated Property |
| η | 0.0001388 | Pa×s | 661.84 | Joback Calculated Property |
| η | 0.0001034 | Pa×s | 715.34 | Joback Calculated Property |
| η | 0.0000803 | Pa×s | 768.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isobutyl pent-4-enyl ester.
Sources
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