- InChI
- InChI=1S/C24H32O4/c1-17(2)9-8-14-27-23(25)20-10-7-11-21(16-20)24(26)28-22(15-19(5)6)13-12-18(3)4/h7,10-11,16-17,19,22H,3,8-9,14-15H2,1-2,4-6H3
- InChI Key
- RCRDNQVBUCCUPR-UHFFFAOYSA-N
- Formula
- C24H32O4
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)c1cccc
(C(=O)OCCCC(C)C)c1 - Molecular Weight1
- 384.51
- 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° | 60.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -431.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.67 | kJ/mol | Joback Calculated Property |
| log10WS | -7.09 | Crippen Calculated Property | |
| logPoct/wat | 5.431 | Crippen Calculated Property | |
| McVol | 327.240 | ml/mol | McGowan Calculated Property |
| Pc | 1203.12 | kPa | Joback Calculated Property |
| Inp | [2662.00; 2662.00] |
|
|
| Inp | 2662.00 | NIST | |
| Inp | 2662.00 | NIST | |
| Tboil | 937.00 | K | Joback Calculated Property |
| Tc | 1158.44 | K | Joback Calculated Property |
| Tfus | 588.88 | K | Joback Calculated Property |
| Vc | 1.246 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1036.46; 1111.70] | J/mol×K | [937.00; 1158.44] |
|
| Cp,gas | 1036.46 | J/mol×K | 937.00 | Joback Calculated Property |
| Cp,gas | 1052.32 | J/mol×K | 973.91 | Joback Calculated Property |
| Cp,gas | 1066.79 | J/mol×K | 1010.81 | Joback Calculated Property |
| Cp,gas | 1079.92 | J/mol×K | 1047.72 | Joback Calculated Property |
| Cp,gas | 1091.75 | J/mol×K | 1084.62 | Joback Calculated Property |
| Cp,gas | 1102.33 | J/mol×K | 1121.53 | Joback Calculated Property |
| Cp,gas | 1111.70 | J/mol×K | 1158.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl isohexyl ester.
Sources
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