- InChI
- InChI=1S/C12H12/c1-9-5-3-4-6-11-10(2)7-8-12(9)11/h3-8H,1-2H3
- InChI Key
- FKBGSRCZHMNHGG-UHFFFAOYSA-N
- Formula
- C12H12
- SMILES
- Cc1ccc2c(C)ccccc1-2
- Molecular Weight1
- 156.23
- 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.
- I : 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 | 0.4196 | Relay (1.0) Calculated Property | |
| ΔfG° | 249.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 106.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.408 | Crippen Calculated Property | |
| McVol | 136.720 | ml/mol | McGowan Calculated Property |
| Pc | 3005.73 | kPa | Joback Calculated Property |
| Inp | [1517.00; 1555.20] |
|
|
| Inp | 1555.20 | NIST | |
| Inp | 1517.00 | NIST | |
| Inp | 1528.00 | NIST | |
| Inp | 1517.00 | NIST | |
| Inp | 1523.00 | NIST | |
| I | [2291.00; 2291.00] |
|
|
| I | 2291.00 | NIST | |
| I | 2291.00 | NIST | |
| Tboil | 532.16 | K | Relay (1.0) Calculated Property |
| Tc | 771.86 | K | Relay (1.0) Calculated Property |
| Tfus | 301.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.520 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.89; 423.03] | 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 | -4.47700e+01 | |||
| Coefficient B | 9.42240e-01 | |||
| Coefficient C | -6.62840e-04 | |||
| Coefficient D | 1.88400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 166.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 213.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 254.98 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 290.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 321.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 347.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 370.57 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 390.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 407.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 423.03 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012561; 0.0002922] | Pa×s | [309.16; 533.00] |
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 | -1.01527e+01 | |||
| Coefficient B | 1.07370e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 309.16 | |||
| Temperature range, max. | 533.00 | |||
| η | 0.0012561 | Pa×s | 309.16 | Calculated Property |
| η | 0.0009699 | Pa×s | 334.03 | Calculated Property |
| η | 0.0007762 | Pa×s | 358.90 | Calculated Property |
| η | 0.0006394 | Pa×s | 383.77 | Calculated Property |
| η | 0.0005393 | Pa×s | 408.64 | Calculated Property |
| η | 0.0004638 | Pa×s | 433.52 | Calculated Property |
| η | 0.0004055 | Pa×s | 458.39 | Calculated Property |
| η | 0.0003595 | Pa×s | 483.26 | Calculated Property |
| η | 0.0003224 | Pa×s | 508.13 | Calculated Property |
| η | 0.0002922 | Pa×s | 533.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Dimethylazulene.
Sources
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