- InChI
- InChI=1S/C28H34O4/c1-19(2)12-14-25(16-21(5)6)31-27(29)23-10-9-11-24(18-23)28(30)32-26(17-22(7)8)15-13-20(3)4/h9-11,18,21-22,25-26H,1,3,16-17H2,2,4-8H3
- InChI Key
- BNNGIDHFWUWUOI-UHFFFAOYSA-N
- Formula
- C28H34O4
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)c1cccc
(C(=O)OC(C#CC(=C)C)CC(C)C)c1 - Molecular Weight1
- 434.57
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8430 | Relay (1.0) Calculated Property | |
| ΔfG° | 374.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -350.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.989 | Crippen Calculated Property | |
| McVol | 370.700 | ml/mol | McGowan Calculated Property |
| Pc | 1073.57 | kPa | Joback Calculated Property |
| Inp | [2855.00; 2855.00] |
|
|
| Inp | 2855.00 | NIST | |
| Inp | 2855.00 | NIST | |
| Tboil | 660.61 | K | Relay (1.0) Calculated Property |
| Tc | 885.55 | K | Relay (1.0) Calculated Property |
| Tfus | 341.26 | K | Relay (1.0) Calculated Property |
| Vc | 1.286 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1193.53; 1262.15] | J/mol×K | [1033.64; 1272.99] |
|
| Cp,gas | 1193.53 | J/mol×K | 1033.64 | Joback Calculated Property |
| Cp,gas | 1208.50 | J/mol×K | 1073.53 | Joback Calculated Property |
| Cp,gas | 1221.95 | J/mol×K | 1113.42 | Joback Calculated Property |
| Cp,gas | 1233.97 | J/mol×K | 1153.32 | Joback Calculated Property |
| Cp,gas | 1244.63 | J/mol×K | 1193.21 | Joback Calculated Property |
| Cp,gas | 1254.00 | J/mol×K | 1233.10 | Joback Calculated Property |
| Cp,gas | 1262.15 | J/mol×K | 1272.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, di(2,7-dimethyloct-7-en-5-yn-4-yl) ester.
Sources
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