- InChI
- InChI=1S/C12H16/c1-6-12-10(4)8(2)7-9(3)11(12)5/h6-7H,1H2,2-5H3
- InChI Key
- DZBJUMKRRRRLCW-UHFFFAOYSA-N
- Formula
- C12H16
- SMILES
- C=Cc1c(C)c(C)cc(C)c1C
- Molecular Weight1
- 160.26
- CAS
- 2039-91-0
- 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° | 211.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 25.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.56 | kJ/mol | Joback Calculated Property |
| log10WS | -4.20 | Crippen Calculated Property | |
| logPoct/wat | 3.563 | Crippen Calculated Property | |
| McVol | 151.880 | ml/mol | McGowan Calculated Property |
| Pc | 2363.37 | kPa | Joback Calculated Property |
| Tboil | 517.24 | K | Joback Calculated Property |
| Tc | 725.45 | K | Joback Calculated Property |
| Tfus | 299.74 | K | Joback Calculated Property |
| Vc | 0.581 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [329.04; 407.93] | J/mol×K | [517.24; 725.45] | 
|
| Cp,gas | 329.04 | J/mol×K | 517.24 | Joback Calculated Property |
| Cp,gas | 343.87 | J/mol×K | 551.94 | Joback Calculated Property |
| Cp,gas | 358.01 | J/mol×K | 586.64 | Joback Calculated Property |
| Cp,gas | 371.46 | J/mol×K | 621.34 | Joback Calculated Property |
| Cp,gas | 384.26 | J/mol×K | 656.05 | Joback Calculated Property |
| Cp,gas | 396.40 | J/mol×K | 690.75 | Joback Calculated Property |
| Cp,gas | 407.93 | J/mol×K | 725.45 | Joback Calculated Property |
| η | [0.0001846; 0.0009990] | Pa×s | [299.74; 517.24] |
|
| η | 0.0009990 | Pa×s | 299.74 | Joback Calculated Property |
| η | 0.0006477 | Pa×s | 335.99 | Joback Calculated Property |
| η | 0.0004570 | Pa×s | 372.24 | Joback Calculated Property |
| η | 0.0003430 | Pa×s | 408.49 | Joback Calculated Property |
| η | 0.0002698 | Pa×s | 444.74 | Joback Calculated Property |
| η | 0.0002200 | Pa×s | 480.99 | Joback Calculated Property |
| η | 0.0001846 | Pa×s | 517.24 | Joback Calculated Property |
Similar Compounds
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Sources
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