- InChI
- InChI=1S/C24H32O4/c1-6-8-9-16-27-23(25)20-12-10-13-21(17-20)24(26)28-22(15-14-18(3)4)19(5)11-7-2/h10,12-13,17,19,22H,3,6-9,11,16H2,1-2,4-5H3
- InChI Key
- IWBWKQOPLDEECG-UHFFFAOYSA-N
- Formula
- C24H32O4
- SMILES
-
C=C(C)C#CC(OC(=O)c1cccc(C(=O)O
CCCCC)c1)C(C)CCC - 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° | 63.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -425.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.05 | kJ/mol | Joback Calculated Property |
| log10WS | -7.34 | Crippen Calculated Property | |
| logPoct/wat | 5.575 | Crippen Calculated Property | |
| McVol | 327.240 | ml/mol | McGowan Calculated Property |
| Pc | 1196.48 | kPa | Joback Calculated Property |
| Inp | 2683.00 | NIST | |
| Tboil | 937.44 | K | Joback Calculated Property |
| Tc | 1157.19 | K | Joback Calculated Property |
| Tfus | 603.88 | K | Joback Calculated Property |
| Vc | 1.252 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1036.02; 1111.29] | J/mol×K | [937.44; 1157.19] | 
|
| Cp,gas | 1036.02 | J/mol×K | 937.44 | Joback Calculated Property |
| Cp,gas | 1051.80 | J/mol×K | 974.07 | Joback Calculated Property |
| Cp,gas | 1066.23 | J/mol×K | 1010.69 | Joback Calculated Property |
| Cp,gas | 1079.35 | J/mol×K | 1047.32 | Joback Calculated Property |
| Cp,gas | 1091.21 | J/mol×K | 1083.94 | Joback Calculated Property |
| Cp,gas | 1101.84 | J/mol×K | 1120.57 | Joback Calculated Property |
| Cp,gas | 1111.29 | J/mol×K | 1157.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl pentyl ester.
Sources
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