- InChI
- InChI=1S/C12H16/c1-9-5-3-4-6-11-10(2)7-8-12(9)11/h4-6,10H,3,7-8H2,1-2H3
- InChI Key
- QOXYDBYDOMCGHM-UHFFFAOYSA-N
- Formula
- C12H16
- SMILES
- CC1=CCC=CC2=C1CCC2C
- Molecular Weight1
- 160.26
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.2666 | Relay (1.0) Calculated Property | |
| ΔfG° | 191.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 88.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.619 | Crippen Calculated Property | |
| McVol | 145.320 | ml/mol | McGowan Calculated Property |
| Pc | 2729.71 | kPa | Joback Calculated Property |
| Inp | [1244.00; 1244.00] |
|
|
| Inp | 1244.00 | NIST | |
| Inp | 1244.00 | NIST | |
| Inp | 1244.00 | NIST | |
| Tboil | 493.83 | K | Relay (1.0) Calculated Property |
| Tc | 704.21 | K | Relay (1.0) Calculated Property |
| Tfus | 291.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.501 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.07; 426.65] | J/mol×K | [521.61; 747.23] |
|
| Cp,gas | 333.07 | J/mol×K | 521.61 | Joback Calculated Property |
| Cp,gas | 351.33 | J/mol×K | 559.21 | Joback Calculated Property |
| Cp,gas | 368.45 | J/mol×K | 596.82 | Joback Calculated Property |
| Cp,gas | 384.49 | J/mol×K | 634.42 | Joback Calculated Property |
| Cp,gas | 399.49 | J/mol×K | 672.02 | Joback Calculated Property |
| Cp,gas | 413.53 | J/mol×K | 709.63 | Joback Calculated Property |
| Cp,gas | 426.65 | J/mol×K | 747.23 | Joback Calculated Property |
| η | [0.0003265; 0.0016585] | Pa×s | [290.88; 521.61] |
|
| η | 0.0016585 | Pa×s | 290.88 | Joback Calculated Property |
| η | 0.0010799 | Pa×s | 329.33 | Joback Calculated Property |
| η | 0.0007692 | Pa×s | 367.79 | Joback Calculated Property |
| η | 0.0005842 | Pa×s | 406.25 | Joback Calculated Property |
| η | 0.0004653 | Pa×s | 444.70 | Joback Calculated Property |
| η | 0.0003843 | Pa×s | 483.16 | Joback Calculated Property |
| η | 0.0003265 | Pa×s | 521.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (+)-1,2,3,6-Tetrahydro-1,4-dimethylazulene.
Sources
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