- InChI
- InChI=1S/C17H26O2/c1-5-7-8-15(6-2)12-19-17(18)16-10-9-13(3)14(4)11-16/h9-11,15H,5-8,12H2,1-4H3
- InChI Key
- NOJFKUNHDNKRPS-UHFFFAOYSA-N
- Formula
- C17H26O2
- SMILES
- CCCCC(CC)COC(=O)c1ccc(C)c(C)c1
- Molecular Weight1
- 262.39
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -50.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -430.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.80 | kJ/mol | Joback Calculated Property |
| log10WS | -5.35 | Crippen Calculated Property | |
| logPoct/wat | 4.677 | Crippen Calculated Property | |
| McVol | 234.070 | ml/mol | McGowan Calculated Property |
| Pc | 1606.42 | kPa | Joback Calculated Property |
| Inp | 1920.00 | NIST | |
| Tboil | 700.85 | K | Joback Calculated Property |
| Tc | 898.99 | K | Joback Calculated Property |
| Tfus | 389.97 | K | Joback Calculated Property |
| Vc | 0.897 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [654.79; 745.72] | J/mol×K | [700.85; 898.99] | 
|
| Cp,gas | 654.79 | J/mol×K | 700.85 | Joback Calculated Property |
| Cp,gas | 672.31 | J/mol×K | 733.87 | Joback Calculated Property |
| Cp,gas | 688.85 | J/mol×K | 766.90 | Joback Calculated Property |
| Cp,gas | 704.44 | J/mol×K | 799.92 | Joback Calculated Property |
| Cp,gas | 719.10 | J/mol×K | 832.94 | Joback Calculated Property |
| Cp,gas | 732.85 | J/mol×K | 865.97 | Joback Calculated Property |
| Cp,gas | 745.72 | J/mol×K | 898.99 | Joback Calculated Property |
| η | [0.0000996; 0.0012847] | Pa×s | [389.97; 700.85] |
|
| η | 0.0012847 | Pa×s | 389.97 | Joback Calculated Property |
| η | 0.0006534 | Pa×s | 441.78 | Joback Calculated Property |
| η | 0.0003830 | Pa×s | 493.60 | Joback Calculated Property |
| η | 0.0002485 | Pa×s | 545.41 | Joback Calculated Property |
| η | 0.0001738 | Pa×s | 597.22 | Joback Calculated Property |
| η | 0.0001287 | Pa×s | 649.04 | Joback Calculated Property |
| η | 0.0000996 | Pa×s | 700.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylhexyl 3,4-dimethylbenzoate.
Sources
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