- InChI
- InChI=1S/C20H24O4/c1-6-23-19(21)16-8-7-9-17(13-16)20(22)24-18(12-15(4)5)11-10-14(2)3/h7-9,13,15,18H,2,6,12H2,1,3-5H3
- InChI Key
- DEPXDXHSFRILSA-UHFFFAOYSA-N
- Formula
- C20H24O4
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)c1cccc
(C(=O)OCC)c1 - Molecular Weight1
- 328.40
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | 29.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -343.29 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.15 | kJ/mol | Joback Calculated Property |
| log10WS | -5.66 | Crippen Calculated Property | |
| logPoct/wat | 4.014 | Crippen Calculated Property | |
| McVol | 270.880 | ml/mol | McGowan Calculated Property |
| Pc | 1591.08 | kPa | Joback Calculated Property |
| Inp | [2315.00; 2315.00] |
|
|
| Inp | 2315.00 | NIST | |
| Inp | 2315.00 | NIST | |
| Tboil | 845.92 | K | Joback Calculated Property |
| Tc | 1068.08 | K | Joback Calculated Property |
| Tfus | 558.80 | K | Joback Calculated Property |
| Vc | 1.028 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [799.48; 874.23] | J/mol×K | [845.92; 1068.08] |
|
| Cp,gas | 799.48 | J/mol×K | 845.92 | Joback Calculated Property |
| Cp,gas | 814.93 | J/mol×K | 882.95 | Joback Calculated Property |
| Cp,gas | 829.15 | J/mol×K | 919.97 | Joback Calculated Property |
| Cp,gas | 842.16 | J/mol×K | 957.00 | Joback Calculated Property |
| Cp,gas | 853.99 | J/mol×K | 994.03 | Joback Calculated Property |
| Cp,gas | 864.67 | J/mol×K | 1031.05 | Joback Calculated Property |
| Cp,gas | 874.23 | J/mol×K | 1068.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ethyl ester.
Sources
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