- InChI
- InChI=1S/C11H16/c1-3-10(2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3
- InChI Key
- IFDLFCDWOFLKEB-UHFFFAOYSA-N
- Formula
- C11H16
- SMILES
- CCC(C)Cc1ccccc1
- Molecular Weight1
- 148.24
- CAS
- 3968-85-2
- Other Names
-
- (2-Methylbutyl)benzene
- 1-Phenyl-2-methylbutane
- 2-Methyl-1-phenylbutane
- Butane, 2-methyl-1-phenyl-
- 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).
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔfG° | 151.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -39.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.97 | kJ/mol | Joback Calculated Property |
| log10WS | -3.29 | Crippen Calculated Property | |
| logPoct/wat | 3.275 | Crippen Calculated Property | |
| McVol | 142.090 | ml/mol | McGowan Calculated Property |
| Pc | 2670.78 | kPa | Joback Calculated Property |
| Inp | [1100.70; 1111.00] |
|
|
| Inp | 1109.00 | NIST | |
| Inp | 1102.00 | NIST | |
| Inp | 1100.70 | NIST | |
| Inp | 1102.10 | NIST | |
| Inp | 1105.00 | NIST | |
| Inp | 1102.00 | NIST | |
| Inp | 1109.00 | NIST | |
| Inp | 1111.00 | NIST | |
| Inp | 1105.00 | NIST | |
| Inp | 1102.00 | NIST | |
| Inp | 1102.00 | NIST | |
| Inp | 1111.00 | NIST | |
| I | [1309.00; 1309.30] |
|
|
| I | 1309.00 | NIST | |
| I | 1309.30 | NIST | |
| I | 1309.30 | NIST | |
| I | 1309.00 | NIST | |
| I | 1309.00 | NIST | |
| Tboil | [462.65; 469.25] | K |
|
| Tboil | 469.15 ± 2.00 | K | NIST |
| Tboil | 469.25 ± 0.40 | K | NIST |
| Tboil | 468.00 ± 6.00 | K | NIST |
| Tboil | 467.00 ± 6.00 | K | NIST |
| Tboil | 462.65 ± 2.00 | K | NIST |
| Tc | 683.92 | K | Joback Calculated Property |
| Tfus | 225.15 | K | Joback Calculated Property |
| Vc | 0.537 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [300.07; 386.13] | J/mol×K | [477.32; 683.92] |
|
| Cp,gas | 300.07 | J/mol×K | 477.32 | Joback Calculated Property |
| Cp,gas | 316.59 | J/mol×K | 511.75 | Joback Calculated Property |
| Cp,gas | 332.19 | J/mol×K | 546.19 | Joback Calculated Property |
| Cp,gas | 346.91 | J/mol×K | 580.62 | Joback Calculated Property |
| Cp,gas | 360.78 | J/mol×K | 615.05 | Joback Calculated Property |
| Cp,gas | 373.84 | J/mol×K | 649.49 | Joback Calculated Property |
| Cp,gas | 386.13 | J/mol×K | 683.92 | Joback Calculated Property |
| η | [0.0002075; 0.0057730] | Pa×s | [225.15; 477.32] |
|
| η | 0.0057730 | Pa×s | 225.15 | Joback Calculated Property |
| η | 0.0021444 | Pa×s | 267.18 | Joback Calculated Property |
| η | 0.0010427 | Pa×s | 309.21 | Joback Calculated Property |
| η | 0.0006024 | Pa×s | 351.24 | Joback Calculated Property |
| η | 0.0003914 | Pa×s | 393.26 | Joback Calculated Property |
| η | 0.0002764 | Pa×s | 435.29 | Joback Calculated Property |
| η | 0.0002075 | Pa×s | 477.32 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [346.95; 500.89] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42983e+01 | |||
| Coefficient B | -3.85816e+03 | |||
| Coefficient C | -7.15800e+01 | |||
| Temperature range, min. | 346.95 | |||
| Temperature range, max. | 500.89 | |||
| Pvap | 1.33 | kPa | 346.95 | Calculated Property |
| Pvap | 3.02 | kPa | 364.05 | Calculated Property |
| Pvap | 6.27 | kPa | 381.16 | Calculated Property |
| Pvap | 12.04 | kPa | 398.26 | Calculated Property |
| Pvap | 21.67 | kPa | 415.37 | Calculated Property |
| Pvap | 36.88 | kPa | 432.47 | Calculated Property |
| Pvap | 59.83 | kPa | 449.58 | Calculated Property |
| Pvap | 93.07 | kPa | 466.68 | Calculated Property |
| Pvap | 139.57 | kPa | 483.79 | Calculated Property |
| Pvap | 202.64 | kPa | 500.89 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (2-methylbutyl)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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