- InChI
- InChI=1S/C12H16/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5-11H,2-4H2,1H3/b9-6-
- InChI Key
- KETWBQOXTBGBBN-TWGQIWQCSA-N
- Formula
- C12H16
- SMILES
- CCCC/C=C\c1ccccc1
- 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 | 0.3934 | Relay (1.0) Calculated Property | |
| ΔfG° | 242.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 80.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.890 | Crippen Calculated Property | |
| McVol | 151.880 | ml/mol | McGowan Calculated Property |
| Pc | 2532.82 | kPa | Joback Calculated Property |
| Inp | 1249.00 | NIST | |
| Tboil | 504.17 | K | Relay (1.0) Calculated Property |
| Tc | 694.55 | K | Relay (1.0) Calculated Property |
| Tfus | 207.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.560 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [188.79; 489.31] | 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 | -5.61070e+01 | |||
| Coefficient B | 1.08492e+00 | |||
| Coefficient C | -7.44000e-04 | |||
| Coefficient D | 2.04500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 188.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 243.65 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 291.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 333.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 369.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 400.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 427.75 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 451.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 471.36 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 489.31 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0035637; 0.0001803] | Pa×s | [246.34; 499.64] |
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 | -1.15232e+01 | |||
| Coefficient B | 1.45002e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 246.34 | |||
| Temperature range, max. | 499.64 | |||
| η | 0.0035637 | Pa×s | 246.34 | Calculated Property |
| η | 0.0019489 | Pa×s | 274.48 | Calculated Property |
| η | 0.0011924 | Pa×s | 302.63 | Calculated Property |
| η | 0.0007932 | Pa×s | 330.77 | Calculated Property |
| η | 0.0005624 | Pa×s | 358.92 | Calculated Property |
| η | 0.0004193 | Pa×s | 387.06 | Calculated Property |
| η | 0.0003253 | Pa×s | 415.21 | Calculated Property |
| η | 0.0002606 | Pa×s | 443.35 | Calculated Property |
| η | 0.0002144 | Pa×s | 471.50 | Calculated Property |
| η | 0.0001803 | Pa×s | 499.64 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-hexenyl-, (Z).
Sources
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