- InChI
- InChI=1S/C22H32O4/c1-4-6-8-10-13-18(3)26-22(24)20-15-12-14-19(17-20)21(23)25-16-11-9-7-5-2/h10,12-15,17-18H,4-9,11,16H2,1-3H3/b13-10+
- InChI Key
- RXNBCKGRYOROAL-JLHYYAGUSA-N
- Formula
- C22H32O4
- SMILES
-
CCCCC=CC(C)OC(=O)c1cccc(C(=O)O
CCCCCC)c1 - Molecular Weight1
- 360.49
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9568 | Relay (... Calculated Property | |
| ΔfG° | -152.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -824.88 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 48.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.33 | kJ/mol | Relay (... Calculated Property |
| IE | 8.90 | eV | Relay (... Calculated Property |
| log10WS | -5.98 | Relay (... Calculated Property | |
| logPoct/wat | 5.715 | Crippen Calculated Property | |
| McVol | 307.660 | ml/mol | McGowan Calculated Property |
| Pc | 1220.85 | kPa | Joback Calculated Property |
| Inp | [2633.00; 2633.00] |
|
|
| Inp | 2633.00 | NIST | |
| Inp | 2633.00 | NIST | |
| Tboil | 633.82 | K | Relay (... Calculated Property |
| Tc | 837.54 | K | Relay (... Calculated Property |
| Tfus | 271.30 | K | Relay (... Calculated Property |
| Vc | 1.125 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [970.52; 1050.94] | J/mol×K | [890.72; 1098.22] |
|
| Cp,gas | 970.52 | J/mol×K | 890.72 | Joback Calculated Property |
| Cp,gas | 986.72 | J/mol×K | 925.30 | Joback Calculated Property |
| Cp,gas | 1001.75 | J/mol×K | 959.89 | Joback Calculated Property |
| Cp,gas | 1015.64 | J/mol×K | 994.47 | Joback Calculated Property |
| Cp,gas | 1028.44 | J/mol×K | 1029.05 | Joback Calculated Property |
| Cp,gas | 1040.19 | J/mol×K | 1063.63 | Joback Calculated Property |
| Cp,gas | 1050.94 | J/mol×K | 1098.22 | Joback Calculated Property |
| η | [0.0000330; 0.0005015] | Pa×s | [500.88; 890.72] |
|
| η | 0.0005015 | Pa×s | 500.88 | Joback Calculated Property |
| η | 0.0002455 | Pa×s | 565.85 | Joback Calculated Property |
| η | 0.0001393 | Pa×s | 630.83 | Joback Calculated Property |
| η | 0.0000878 | Pa×s | 695.80 | Joback Calculated Property |
| η | 0.0000599 | Pa×s | 760.77 | Joback Calculated Property |
| η | 0.0000434 | Pa×s | 825.75 | Joback Calculated Property |
| η | 0.0000330 | Pa×s | 890.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, hexyl oct-3-en-2-yl ester.
Sources
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