- InChI
- InChI=1S/C12H16O2/c1-7-6-8(2)10(4)11(9(7)3)12(13)14-5/h6H,1-5H3
- InChI Key
- GMSOGDJHFPQOBM-UHFFFAOYSA-N
- Formula
- C12H16O2
- SMILES
- COC(=O)c1c(C)c(C)cc(C)c1C
- Molecular Weight1
- 192.25
- CAS
- 22524-51-2
- 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).
- 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° | -109.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -345.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.39 | kJ/mol | Joback Calculated Property |
| log10WS | -3.62 | Crippen Calculated Property | |
| logPoct/wat | 2.707 | Crippen Calculated Property | |
| McVol | 163.620 | ml/mol | McGowan Calculated Property |
| Pc | 2372.59 | kPa | Joback Calculated Property |
| Tboil | 596.85 | K | Joback Calculated Property |
| Tc | 806.77 | K | Joback Calculated Property |
| Tfus | 373.66 | K | Joback Calculated Property |
| Vc | 0.624 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [392.49; 467.67] | J/mol×K | [596.85; 806.77] | 
|
| Cp,gas | 392.49 | J/mol×K | 596.85 | Joback Calculated Property |
| Cp,gas | 406.71 | J/mol×K | 631.84 | Joback Calculated Property |
| Cp,gas | 420.25 | J/mol×K | 666.82 | Joback Calculated Property |
| Cp,gas | 433.12 | J/mol×K | 701.81 | Joback Calculated Property |
| Cp,gas | 445.31 | J/mol×K | 736.80 | Joback Calculated Property |
| Cp,gas | 456.83 | J/mol×K | 771.79 | Joback Calculated Property |
| Cp,gas | 467.67 | J/mol×K | 806.77 | Joback Calculated Property |
| η | [0.0001711; 0.0008804] | Pa×s | [373.66; 596.85] |
|
| η | 0.0008804 | Pa×s | 373.66 | Joback Calculated Property |
| η | 0.0005921 | Pa×s | 410.86 | Joback Calculated Property |
| η | 0.0004254 | Pa×s | 448.06 | Joback Calculated Property |
| η | 0.0003215 | Pa×s | 485.25 | Joback Calculated Property |
| η | 0.0002528 | Pa×s | 522.45 | Joback Calculated Property |
| η | 0.0002053 | Pa×s | 559.65 | Joback Calculated Property |
| η | 0.0001711 | Pa×s | 596.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,5,6-(CH3)4-C6H-COOCH3.
Sources
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