- InChI
- InChI=1S/C13H14/c1-9-7-10(2)12-5-4-6-13(12)11(3)8-9/h4-8H,1-3H3
- InChI Key
- RUNBRXWUHPOTOO-UHFFFAOYSA-N
- Formula
- C13H14
- SMILES
- Cc1cc(C)c2cccc-2c(C)c1
- Molecular Weight1
- 170.25
- CAS
- 941-81-1
- Other Names
-
- Azulene, 4,6,8-trimethyl-
- 2,4,6-Trimethylbicyclo(5.3.0)deca-2,4,6,8,10-pentaene
- 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 | 0.4699 | Relay (1.0) Calculated Property | |
| ΔfG° | 248.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 70.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.10 | eV | NIST |
| log10WS | -5.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.717 | Crippen Calculated Property | |
| McVol | 150.810 | ml/mol | McGowan Calculated Property |
| Pc | 2670.78 | kPa | Joback Calculated Property |
| Inp | [1638.00; 1659.00] |
|
|
| Inp | 1638.00 | NIST | |
| Inp | 1659.00 | NIST | |
| Tboil | 547.08 | K | Relay (1.0) Calculated Property |
| Tc | 778.33 | K | Relay (1.0) Calculated Property |
| Tfus | 322.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.571 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [190.66; 471.58] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.13800e+01 | |||
| Coefficient B | 9.77760e-01 | |||
| Coefficient C | -6.50200e-04 | |||
| Coefficient D | 1.75400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 190.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 240.92 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 285.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 323.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 357.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 386.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 412.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 434.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 454.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 471.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010939; 0.0002909] | Pa×s | [332.95; 550.24] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.01717e+01 | |||
| Coefficient B | 1.11660e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 332.95 | |||
| Temperature range, max. | 550.24 | |||
| η | 0.0010939 | Pa×s | 332.95 | Calculated Property |
| η | 0.0008719 | Pa×s | 357.09 | Calculated Property |
| η | 0.0007153 | Pa×s | 381.24 | Calculated Property |
| η | 0.0006008 | Pa×s | 405.38 | Calculated Property |
| η | 0.0005146 | Pa×s | 429.52 | Calculated Property |
| η | 0.0004481 | Pa×s | 453.66 | Calculated Property |
| η | 0.0003957 | Pa×s | 477.81 | Calculated Property |
| η | 0.0003537 | Pa×s | 501.95 | Calculated Property |
| η | 0.0003193 | Pa×s | 526.09 | Calculated Property |
| η | 0.0002909 | Pa×s | 550.24 | Calculated Property |
Similar Compounds
Find more compounds similar to 4,6,8-Trimethylazulene.
Sources
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