- InChI
- InChI=1S/C11H16/c1-9(2)7-11-6-4-5-10(3)8-11/h4-6,8-9H,7H2,1-3H3
- InChI Key
- SDHYGAUOCHFYSR-UHFFFAOYSA-N
- Formula
- C11H16
- SMILES
- Cc1cccc(CC(C)C)c1
- Molecular Weight1
- 148.25
- Other Names
-
- 1-methyl-3-(2-methylpropy)benzene
- Benzene, 1-methyl-3-isobutyl
- 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).
- Ip : 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 | 0.4074 | Relay (1.0) Calculated Property | |
| ΔfG° | 142.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -57.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.194 | Crippen Calculated Property | |
| McVol | 142.090 | ml/mol | McGowan Calculated Property |
| Pc | 2629.85 | kPa | Joback Calculated Property |
| Ip | [1308.90; 1309.00] |
|
|
| Ip | 1308.90 | NIST | |
| Ip | 1309.00 | NIST | |
| Ip | 1309.00 | NIST | |
| Ip | 1309.00 | NIST | |
| Tboil | 469.58 | K | Relay (1.0) Calculated Property |
| Tc | 669.57 | K | Relay (1.0) Calculated Property |
| Tfus | 201.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.533 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.81; 465.80] | 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 | -2.83990e+01 | |||
| Coefficient B | 9.16360e-01 | |||
| Coefficient C | -5.41960e-04 | |||
| Coefficient D | 1.19800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 183.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 233.26 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 277.30 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 316.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 350.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 380.71 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 406.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 429.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 449.05 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 465.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0036688; 0.0001976] | Pa×s | [237.67; 483.32] |
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 | -1.13561e+01 | |||
| Coefficient B | 1.36618e+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. | 237.67 | |||
| Temperature range, max. | 483.32 | |||
| η | 0.0036688 | Pa×s | 237.67 | Calculated Property |
| η | 0.0020294 | Pa×s | 264.96 | Calculated Property |
| η | 0.0012538 | Pa×s | 292.26 | Calculated Property |
| η | 0.0008411 | Pa×s | 319.55 | Calculated Property |
| η | 0.0006008 | Pa×s | 346.85 | Calculated Property |
| η | 0.0004507 | Pa×s | 374.14 | Calculated Property |
| η | 0.0003517 | Pa×s | 401.44 | Calculated Property |
| η | 0.0002831 | Pa×s | 428.73 | Calculated Property |
| η | 0.0002340 | Pa×s | 456.02 | Calculated Property |
| η | 0.0001976 | Pa×s | 483.32 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methyl-3-(2-methylpropyl)-.
Sources
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