- InChI
- InChI=1S/C15H22O2/c1-4-5-6-7-10-17-15(16)14-9-8-12(2)13(3)11-14/h8-9,11H,4-7,10H2,1-3H3
- InChI Key
- NUPRBGNIFNXSFI-UHFFFAOYSA-N
- Formula
- C15H22O2
- SMILES
- CCCCCCOC(=O)c1ccc(C)c(C)c1
- Molecular Weight1
- 234.33
- 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° | -65.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -384.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.74 | kJ/mol | Joback Calculated Property |
| log10WS | -4.76 | Crippen Calculated Property | |
| logPoct/wat | 4.041 | Crippen Calculated Property | |
| McVol | 205.890 | ml/mol | McGowan Calculated Property |
| Pc | 1872.41 | kPa | Joback Calculated Property |
| Inp | 1645.00 | NIST | |
| Tboil | 655.53 | K | Joback Calculated Property |
| Tc | 854.78 | K | Joback Calculated Property |
| Tfus | 382.43 | K | Joback Calculated Property |
| Vc | 0.791 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [545.77; 631.60] | J/mol×K | [655.53; 854.78] | 
|
| Cp,gas | 545.77 | J/mol×K | 655.53 | Joback Calculated Property |
| Cp,gas | 562.20 | J/mol×K | 688.74 | Joback Calculated Property |
| Cp,gas | 577.76 | J/mol×K | 721.95 | Joback Calculated Property |
| Cp,gas | 592.46 | J/mol×K | 755.16 | Joback Calculated Property |
| Cp,gas | 606.32 | J/mol×K | 788.36 | Joback Calculated Property |
| Cp,gas | 619.37 | J/mol×K | 821.57 | Joback Calculated Property |
| Cp,gas | 631.60 | J/mol×K | 854.78 | Joback Calculated Property |
| η | [0.0001339; 0.0012115] | Pa×s | [382.43; 655.53] |
|
| η | 0.0012115 | Pa×s | 382.43 | Joback Calculated Property |
| η | 0.0006904 | Pa×s | 427.95 | Joback Calculated Property |
| η | 0.0004383 | Pa×s | 473.46 | Joback Calculated Property |
| η | 0.0003014 | Pa×s | 518.98 | Joback Calculated Property |
| η | 0.0002201 | Pa×s | 564.50 | Joback Calculated Property |
| η | 0.0001685 | Pa×s | 610.01 | Joback Calculated Property |
| η | 0.0001339 | Pa×s | 655.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexyl 3,4-dimethylbenzoate.
Sources
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