- InChI
- InChI=1S/C12H18/c1-5-10(3)12-8-9(2)6-7-11(12)4/h6-8,10H,5H2,1-4H3
- InChI Key
- YLLKEDBKVUOZDL-UHFFFAOYSA-N
- Formula
- C12H18
- SMILES
- CCC(C)c1cc(C)ccc1C
- Molecular Weight1
- 162.27
- 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 | 0.4192 | Relay (1.0) Calculated Property | |
| ΔfG° | 140.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -81.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.817 | Crippen Calculated Property | |
| McVol | 156.180 | ml/mol | McGowan Calculated Property |
| Pc | 2354.20 | kPa | Joback Calculated Property |
| Inp | [1190.00; 1195.00] |
|
|
| Inp | 1190.00 | NIST | |
| Inp | 1191.00 | NIST | |
| Inp | 1191.00 | NIST | |
| Inp | 1195.00 | NIST | |
| Inp | 1191.00 | NIST | |
| I | [1402.00; 1477.00] |
|
|
| I | 1440.00 | NIST | |
| I | 1440.00 | NIST | |
| I | 1452.00 | NIST | |
| I | 1464.00 | NIST | |
| I | 1477.00 | NIST | |
| I | 1429.00 | NIST | |
| I | 1402.00 | NIST | |
| I | 1402.00 | NIST | |
| I | 1440.00 | NIST | |
| I | 1429.00 | NIST | |
| I | 1402.00 | NIST | |
| Tboil | 490.80 | K | Relay (1.0) Calculated Property |
| Tc | 692.01 | K | Relay (1.0) Calculated Property |
| Tfus | 275.83 | 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 | [207.58; 514.35] | 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 | -1.50090e+01 | |||
| Coefficient B | 9.51880e-01 | |||
| Coefficient C | -5.29320e-04 | |||
| Coefficient D | 1.06800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 207.58 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 260.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 307.44 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 349.57 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 386.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 419.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 448.79 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 473.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 495.67 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 514.35 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025252; 0.0001914] | Pa×s | [261.46; 501.56] |
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 | -1.13707e+01 | |||
| Coefficient B | 1.40908e+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. | 261.46 | |||
| Temperature range, max. | 501.56 | |||
| η | 0.0025252 | Pa×s | 261.46 | Calculated Property |
| η | 0.0015332 | Pa×s | 288.14 | Calculated Property |
| η | 0.0010130 | Pa×s | 314.82 | Calculated Property |
| η | 0.0007141 | Pa×s | 341.49 | Calculated Property |
| η | 0.0005296 | Pa×s | 368.17 | Calculated Property |
| η | 0.0004089 | Pa×s | 394.85 | Calculated Property |
| η | 0.0003262 | Pa×s | 421.53 | Calculated Property |
| η | 0.0002674 | Pa×s | 448.20 | Calculated Property |
| η | 0.0002241 | Pa×s | 474.88 | Calculated Property |
| η | 0.0001914 | Pa×s | 501.56 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,4-dimethyl-2-(1-methylpropyl).
Sources
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