- InChI
- InChI=1S/C24H34O4/c1-5-7-9-10-11-16-27-23(25)20-13-12-14-21(18-20)24(26)28-22(15-8-6-2)17-19(3)4/h12-14,18-19,22H,5-7,9-11,16-17H2,1-4H3
- InChI Key
- JOFLMLHHBKQDIB-UHFFFAOYSA-N
- Formula
- C24H34O4
- SMILES
-
CCC#CC(CC(C)C)OC(=O)c1cccc(C(=
O)OCCCCCCC)c1 - Molecular Weight1
- 386.52
- 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° | -15.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -541.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.64 | kJ/mol | Joback Calculated Property |
| log10WS | -7.48 | Crippen Calculated Property | |
| logPoct/wat | 5.799 | Crippen Calculated Property | |
| McVol | 331.540 | ml/mol | McGowan Calculated Property |
| Pc | 1158.50 | kPa | Joback Calculated Property |
| Inp | [2758.00; 2758.00] |
|
|
| Inp | 2758.00 | NIST | |
| Inp | 2758.00 | NIST | |
| Tboil | 940.88 | K | Joback Calculated Property |
| Tc | 1158.29 | K | Joback Calculated Property |
| Tfus | 619.60 | K | Joback Calculated Property |
| Vc | 1.270 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1065.47; 1141.49] | J/mol×K | [940.88; 1158.29] |
|
| Cp,gas | 1065.47 | J/mol×K | 940.88 | Joback Calculated Property |
| Cp,gas | 1081.52 | J/mol×K | 977.11 | Joback Calculated Property |
| Cp,gas | 1096.18 | J/mol×K | 1013.35 | Joback Calculated Property |
| Cp,gas | 1109.46 | J/mol×K | 1049.58 | Joback Calculated Property |
| Cp,gas | 1121.42 | J/mol×K | 1085.82 | Joback Calculated Property |
| Cp,gas | 1132.09 | J/mol×K | 1122.05 | Joback Calculated Property |
| Cp,gas | 1141.49 | J/mol×K | 1158.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, heptyl 2-methyloct-5-yn-4-yl ester.
Sources
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