- InChI
- InChI=1S/C14H20O3/c1-9(2)8-16-14(15)17-13-11(4)7-6-10(3)12(13)5/h6-7,9H,8H2,1-5H3
- InChI Key
- VLEVACKHXDCWBQ-UHFFFAOYSA-N
- Formula
- C14H20O3
- SMILES
- Cc1ccc(C)c(OC(=O)OCC(C)C)c1C
- Molecular Weight1
- 236.31
- 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° | -190.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -512.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.20 | kJ/mol | Joback Calculated Property |
| log10WS | -4.29 | Crippen Calculated Property | |
| logPoct/wat | 3.783 | Crippen Calculated Property | |
| McVol | 197.670 | ml/mol | McGowan Calculated Property |
| Pc | 1994.77 | kPa | Joback Calculated Property |
| Inp | [1639.00; 1639.00] |
|
|
| Inp | 1639.00 | NIST | |
| Inp | 1639.00 | NIST | |
| Tboil | 659.61 | K | Joback Calculated Property |
| Tc | 864.25 | K | Joback Calculated Property |
| Tfus | 390.91 | K | Joback Calculated Property |
| Vc | 0.748 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [520.49; 602.73] | J/mol×K | [659.61; 864.25] |
|
| Cp,gas | 520.49 | J/mol×K | 659.61 | Joback Calculated Property |
| Cp,gas | 536.29 | J/mol×K | 693.72 | Joback Calculated Property |
| Cp,gas | 551.25 | J/mol×K | 727.82 | Joback Calculated Property |
| Cp,gas | 565.38 | J/mol×K | 761.93 | Joback Calculated Property |
| Cp,gas | 578.67 | J/mol×K | 796.04 | Joback Calculated Property |
| Cp,gas | 591.12 | J/mol×K | 830.15 | Joback Calculated Property |
| Cp,gas | 602.73 | J/mol×K | 864.25 | Joback Calculated Property |
| η | [0.0001079; 0.0009008] | Pa×s | [390.91; 659.61] |
|
| η | 0.0009008 | Pa×s | 390.91 | Joback Calculated Property |
| η | 0.0005273 | Pa×s | 435.69 | Joback Calculated Property |
| η | 0.0003411 | Pa×s | 480.48 | Joback Calculated Property |
| η | 0.0002377 | Pa×s | 525.26 | Joback Calculated Property |
| η | 0.0001752 | Pa×s | 570.04 | Joback Calculated Property |
| η | 0.0001351 | Pa×s | 614.83 | Joback Calculated Property |
| η | 0.0001079 | Pa×s | 659.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,6-Trimethylphenol, isoBOC.
Sources
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