- InChI
- InChI=1S/C23H32O4/c1-6-7-13-21(15-18(4)5)27-23(25)20-12-8-11-19(16-20)22(24)26-14-9-10-17(2)3/h8,11-12,16-18,21H,6,9-10,14-15H2,1-5H3
- InChI Key
- JWYWZFZLXFGIHQ-UHFFFAOYSA-N
- Formula
- C23H32O4
- SMILES
-
CCC#CC(CC(C)C)OC(=O)c1cccc(C(=
O)OCCCC(C)C)c1 - Molecular Weight1
- 372.50
- 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° | -26.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -526.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.03 | kJ/mol | Joback Calculated Property |
| log10WS | -6.82 | Crippen Calculated Property | |
| logPoct/wat | 5.264 | Crippen Calculated Property | |
| McVol | 317.450 | ml/mol | McGowan Calculated Property |
| Pc | 1245.09 | kPa | Joback Calculated Property |
| Inp | [2616.00; 2616.00] |
|
|
| Inp | 2616.00 | NIST | |
| Inp | 2616.00 | NIST | |
| Tboil | 917.56 | K | Joback Calculated Property |
| Tc | 1135.45 | K | Joback Calculated Property |
| Tfus | 593.33 | K | Joback Calculated Property |
| Vc | 1.208 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1005.40; 1081.65] | J/mol×K | [917.56; 1135.45] |
|
| Cp,gas | 1005.40 | J/mol×K | 917.56 | Joback Calculated Property |
| Cp,gas | 1021.47 | J/mol×K | 953.88 | Joback Calculated Property |
| Cp,gas | 1036.15 | J/mol×K | 990.19 | Joback Calculated Property |
| Cp,gas | 1049.48 | J/mol×K | 1026.51 | Joback Calculated Property |
| Cp,gas | 1061.48 | J/mol×K | 1062.82 | Joback Calculated Property |
| Cp,gas | 1072.20 | J/mol×K | 1099.14 | Joback Calculated Property |
| Cp,gas | 1081.65 | J/mol×K | 1135.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isohexyl 2-methyloct-5-yn-4-yl ester.
Sources
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