- InChI
- InChI=1S/C13H18/c1-11(2)9-10-12(3)13-7-5-4-6-8-13/h4-12H,1-3H3/b10-9+
- InChI Key
- VKZZGLZQWTWKTP-MDZDMXLPSA-N
- Formula
- C13H18
- SMILES
- CC(C)C=CC(C)c1ccccc1
- Molecular Weight1
- 174.28
- 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 | 0.3341 | Relay (1.0) Calculated Property | |
| ΔfG° | 246.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 14.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.002 | Crippen Calculated Property | |
| McVol | 165.970 | ml/mol | McGowan Calculated Property |
| Pc | 2340.56 | kPa | Joback Calculated Property |
| Inp | [1293.00; 1293.00] |
|
|
| Inp | 1293.00 | NIST | |
| Inp | 1293.00 | NIST | |
| Tboil | 479.51 | K | Relay (1.0) Calculated Property |
| Tc | 688.63 | K | Relay (1.0) Calculated Property |
| Tfus | 219.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.604 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [209.37; 541.98] | 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 | -6.03800e+01 | |||
| Coefficient B | 1.19176e+00 | |||
| Coefficient C | -8.04800e-04 | |||
| Coefficient D | 2.15400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 209.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 270.05 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 323.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 369.52 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 409.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 444.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 474.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 500.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 522.39 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 541.98 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0083154; 0.0001527] | Pa×s | [227.61; 519.33] |
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 | -1.19063e+01 | |||
| Coefficient B | 1.61982e+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. | 227.61 | |||
| Temperature range, max. | 519.33 | |||
| η | 0.0083154 | Pa×s | 227.61 | Calculated Property |
| η | 0.0034245 | Pa×s | 260.02 | Calculated Property |
| η | 0.0017169 | Pa×s | 292.44 | Calculated Property |
| η | 0.0009879 | Pa×s | 324.85 | Calculated Property |
| η | 0.0006284 | Pa×s | 357.26 | Calculated Property |
| η | 0.0004310 | Pa×s | 389.68 | Calculated Property |
| η | 0.0003132 | Pa×s | 422.09 | Calculated Property |
| η | 0.0002382 | Pa×s | 454.51 | Calculated Property |
| η | 0.0001879 | Pa×s | 486.92 | Calculated Property |
| η | 0.0001527 | Pa×s | 519.33 | Calculated Property |
Similar Compounds
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