- InChI
- InChI=1S/C23H32O4/c1-5-7-9-10-15-26-22(24)19-12-11-13-20(17-19)23(25)27-21(14-8-6-2)16-18(3)4/h11-13,17-18,21H,5-7,9-10,15-16H2,1-4H3
- InChI Key
- UKAURQDLOZPEKG-UHFFFAOYSA-N
- Formula
- C23H32O4
- SMILES
-
CCC#CC(CC(C)C)OC(=O)c1cccc(C(=
O)OCCCCCC)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° | -24.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -520.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.42 | kJ/mol | Joback Calculated Property |
| log10WS | -7.06 | Crippen Calculated Property | |
| logPoct/wat | 5.409 | Crippen Calculated Property | |
| McVol | 317.450 | ml/mol | McGowan Calculated Property |
| Pc | 1238.09 | kPa | Joback Calculated Property |
| Inp | [2664.00; 2664.00] |
|
|
| Inp | 2664.00 | NIST | |
| Inp | 2664.00 | NIST | |
| Tboil | 918.00 | K | Joback Calculated Property |
| Tc | 1134.16 | K | Joback Calculated Property |
| Tfus | 608.33 | K | Joback Calculated Property |
| Vc | 1.214 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1004.93; 1081.15] | J/mol×K | [918.00; 1134.16] |
|
| Cp,gas | 1004.93 | J/mol×K | 918.00 | Joback Calculated Property |
| Cp,gas | 1020.91 | J/mol×K | 954.03 | Joback Calculated Property |
| Cp,gas | 1035.54 | J/mol×K | 990.05 | Joback Calculated Property |
| Cp,gas | 1048.85 | J/mol×K | 1026.08 | Joback Calculated Property |
| Cp,gas | 1060.86 | J/mol×K | 1062.11 | Joback Calculated Property |
| Cp,gas | 1071.62 | J/mol×K | 1098.13 | Joback Calculated Property |
| Cp,gas | 1081.15 | J/mol×K | 1134.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, hexyl 2-methyloct-5-yn-4-yl ester.
Sources
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