- InChI
- InChI=1S/C12H16O2/c1-5-6-10-9(2)11(13-3)7-8-12(10)14-4/h5,7-8H,1,6H2,2-4H3
- InChI Key
- QVZBRUBDHWOPIM-UHFFFAOYSA-N
- Formula
- C12H16O2
- SMILES
- C=CCc1c(OC)ccc(OC)c1C
- Molecular Weight1
- 192.25
- 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° | 11.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -227.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.72 | kJ/mol | Joback Calculated Property |
| log10WS | -3.26 | Crippen Calculated Property | |
| logPoct/wat | 2.741 | Crippen Calculated Property | |
| McVol | 163.620 | ml/mol | McGowan Calculated Property |
| Pc | 2320.31 | kPa | Joback Calculated Property |
| Inp | 1601.00 | NIST | |
| Tboil | 557.10 | K | Joback Calculated Property |
| Tc | 760.27 | K | Joback Calculated Property |
| Tfus | 331.68 | K | Joback Calculated Property |
| Vc | 0.617 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [378.89; 457.05] | J/mol×K | [557.10; 760.27] | 
|
| Cp,gas | 378.89 | J/mol×K | 557.10 | Joback Calculated Property |
| Cp,gas | 393.51 | J/mol×K | 590.96 | Joback Calculated Property |
| Cp,gas | 407.50 | J/mol×K | 624.82 | Joback Calculated Property |
| Cp,gas | 420.85 | J/mol×K | 658.69 | Joback Calculated Property |
| Cp,gas | 433.56 | J/mol×K | 692.55 | Joback Calculated Property |
| Cp,gas | 445.63 | J/mol×K | 726.41 | Joback Calculated Property |
| Cp,gas | 457.05 | J/mol×K | 760.27 | Joback Calculated Property |
| η | [0.0001340; 0.0008345] | Pa×s | [331.68; 557.10] |
|
| η | 0.0008345 | Pa×s | 331.68 | Joback Calculated Property |
| η | 0.0005269 | Pa×s | 369.25 | Joback Calculated Property |
| η | 0.0003622 | Pa×s | 406.82 | Joback Calculated Property |
| η | 0.0002652 | Pa×s | 444.39 | Joback Calculated Property |
| η | 0.0002039 | Pa×s | 481.96 | Joback Calculated Property |
| η | 0.0001628 | Pa×s | 519.53 | Joback Calculated Property |
| η | 0.0001340 | Pa×s | 557.10 | Joback Calculated Property |
Similar Compounds
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Sources
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