- InChI
- InChI=1S/C12H18/c1-4-5-6-12-8-7-10(2)9-11(12)3/h7-9H,4-6H2,1-3H3
- InChI Key
- JEHCWPAYIBNVDI-UHFFFAOYSA-N
- Formula
- C12H18
- SMILES
- CCCCc1ccc(C)cc1C
- Molecular Weight1
- 162.27
- Other Names
-
- 1,3-Dimethyl-4-n-Butylbenzene
- 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 | 0.4761 | Relay (1.0) Calculated Property | |
| ΔfG° | 143.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -64.01 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.646 | Crippen Calculated Property | |
| McVol | 156.180 | ml/mol | McGowan Calculated Property |
| Pc | 2336.03 | kPa | Joback Calculated Property |
| Inp | [1249.00; 1250.00] |
|
|
| Inp | 1249.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1250.00 | NIST | |
| I | [1487.00; 1487.30] |
|
|
| I | 1487.30 | NIST | |
| I | 1487.00 | NIST | |
| I | 1487.00 | NIST | |
| I | 1487.00 | NIST | |
| Tboil | 498.91 | K | Relay (1.0) Calculated Property |
| Tc | 692.01 | K | Relay (1.0) Calculated Property |
| Tfus | 221.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.595 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.89; 513.81] | 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 | -1.33270e+01 | |||
| Coefficient B | 9.45960e-01 | |||
| Coefficient C | -5.26120e-04 | |||
| Coefficient D | 1.07300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 207.89 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 260.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 307.20 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 349.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 386.34 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 419.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 448.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 473.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 495.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 513.81 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0018797; 0.0002061] | Pa×s | [276.46; 498.72] |
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 | -1.12367e+01 | |||
| Coefficient B | 1.37126e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 276.46 | |||
| Temperature range, max. | 498.72 | |||
| η | 0.0018797 | Pa×s | 276.46 | Calculated Property |
| η | 0.0012515 | Pa×s | 301.16 | Calculated Property |
| η | 0.0008863 | Pa×s | 325.85 | Calculated Property |
| η | 0.0006589 | Pa×s | 350.55 | Calculated Property |
| η | 0.0005093 | Pa×s | 375.24 | Calculated Property |
| η | 0.0004065 | Pa×s | 399.94 | Calculated Property |
| η | 0.0003330 | Pa×s | 424.64 | Calculated Property |
| η | 0.0002788 | Pa×s | 449.33 | Calculated Property |
| η | 0.0002378 | Pa×s | 474.03 | Calculated Property |
| η | 0.0002061 | Pa×s | 498.72 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-butyl-2,4-dimethyl.
Sources
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