- InChI
- InChI=1S/C18H24O4/c1-4-5-6-7-11-21-17(19)15-9-8-10-16(12-15)18(20)22-13-14(2)3/h5-6,8-10,12,14H,4,7,11,13H2,1-3H3/b6-5-
- InChI Key
- ONPSLEDZUBPUGM-WAYWQWQTSA-N
- Formula
- C18H24O4
- SMILES
-
CCC=CCCOC(=O)c1cccc(C(=O)OCC(C
)C)c1 - Molecular Weight1
- 304.38
- 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° | -186.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -567.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.48 | kJ/mol | Joback Calculated Property |
| log10WS | -4.92 | Crippen Calculated Property | |
| logPoct/wat | 4.013 | Crippen Calculated Property | |
| McVol | 251.300 | ml/mol | McGowan Calculated Property |
| Pc | 1628.54 | kPa | Joback Calculated Property |
| Inp | 2195.00 | NIST | |
| Tboil | 799.20 | K | Joback Calculated Property |
| Tc | 1006.70 | K | Joback Calculated Property |
| Tfus | 455.80 | K | Joback Calculated Property |
| Vc | 0.958 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [736.28; 813.34] | J/mol×K | [799.20; 1006.70] | 
|
| Cp,gas | 736.28 | J/mol×K | 799.20 | Joback Calculated Property |
| Cp,gas | 751.65 | J/mol×K | 833.78 | Joback Calculated Property |
| Cp,gas | 765.97 | J/mol×K | 868.37 | Joback Calculated Property |
| Cp,gas | 779.27 | J/mol×K | 902.95 | Joback Calculated Property |
| Cp,gas | 791.58 | J/mol×K | 937.53 | Joback Calculated Property |
| Cp,gas | 802.92 | J/mol×K | 972.11 | Joback Calculated Property |
| Cp,gas | 813.34 | J/mol×K | 1006.70 | Joback Calculated Property |
| η | [0.0000575; 0.0007598] | Pa×s | [455.80; 799.20] |
|
| η | 0.0007598 | Pa×s | 455.80 | Joback Calculated Property |
| η | 0.0003887 | Pa×s | 513.03 | Joback Calculated Property |
| η | 0.0002275 | Pa×s | 570.27 | Joback Calculated Property |
| η | 0.0001468 | Pa×s | 627.50 | Joback Calculated Property |
| η | 0.0001020 | Pa×s | 684.73 | Joback Calculated Property |
| η | 0.0000749 | Pa×s | 741.97 | Joback Calculated Property |
| η | 0.0000575 | Pa×s | 799.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, cis-hex-3-enyl isobutyl ester.
Sources
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