- InChI
- InChI=1S/C11H16/c1-3-4-8-11-9-6-5-7-10(11)2/h5-7,9H,3-4,8H2,1-2H3
- InChI Key
- NUJILYKLNKQOOX-UHFFFAOYSA-N
- Formula
- C11H16
- SMILES
- CCCCc1ccccc1C
- Molecular Weight1
- 148.24
- CAS
- 1595-11-5
- Other Names
-
- 1-Butyl-2-methylbenzene
- 1-Methyl-2-butylbenzene
- 1-Methyl-2-n-Butylbenzene
- Toluene, o-butyl-
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4199 | Relay (1.0) Calculated Property | |
| ΔfG° | 144.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -34.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.338 | Crippen Calculated Property | |
| McVol | 142.090 | ml/mol | McGowan Calculated Property |
| Pc | 2608.40 | kPa | Joback Calculated Property |
| Inp | [1107.30; 1169.00] |
|
|
| Inp | 1153.00 | NIST | |
| Inp | 1142.00 | NIST | |
| Inp | 1155.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Inp | 1169.00 | NIST | |
| Inp | 1154.80 | NIST | |
| Inp | 1161.20 | NIST | |
| Inp | 1168.70 | NIST | |
| Inp | 1140.00 | NIST | |
| Inp | 1147.00 | NIST | |
| Inp | Outlier 1107.30 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | Outlier 1113.00 | NIST | |
| Inp | 1165.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1154.00 | NIST | |
| Inp | 1153.00 | NIST | |
| Inp | 1161.00 | NIST | |
| Inp | 1154.00 | NIST | |
| I | [1395.80; 1396.00] |
|
|
| I | 1395.80 | NIST | |
| I | 1396.00 | NIST | |
| I | 1396.00 | NIST | |
| I | 1396.00 | NIST | |
| I | 1395.80 | NIST | |
| Tboil | 474.00 ± 8.00 | K | NIST |
| Tc | 679.50 | K | Relay (1.0) Calculated Property |
| Tfus | 211.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.537 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [300.87; 383.22] | J/mol×K | [482.94; 686.21] |
|
| Cp,gas | 300.87 | J/mol×K | 482.94 | Joback Calculated Property |
| Cp,gas | 316.52 | J/mol×K | 516.82 | Joback Calculated Property |
| Cp,gas | 331.36 | J/mol×K | 550.70 | Joback Calculated Property |
| Cp,gas | 345.43 | J/mol×K | 584.58 | Joback Calculated Property |
| Cp,gas | 358.74 | J/mol×K | 618.46 | Joback Calculated Property |
| Cp,gas | 371.32 | J/mol×K | 652.33 | Joback Calculated Property |
| Cp,gas | 383.22 | J/mol×K | 686.21 | Joback Calculated Property |
| η | [0.0002093; 0.0025675] | Pa×s | [252.67; 482.94] |
|
| η | 0.0025675 | Pa×s | 252.67 | Joback Calculated Property |
| η | 0.0012836 | Pa×s | 291.05 | Joback Calculated Property |
| η | 0.0007543 | Pa×s | 329.43 | Joback Calculated Property |
| η | 0.0004952 | Pa×s | 367.81 | Joback Calculated Property |
| η | 0.0003520 | Pa×s | 406.18 | Joback Calculated Property |
| η | 0.0002654 | Pa×s | 444.56 | Joback Calculated Property |
| η | 0.0002093 | Pa×s | 482.94 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [356.12; 512.22] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.44020e+01 | |||
| Coefficient B | -3.98664e+03 | |||
| Coefficient C | -7.36700e+01 | |||
| Temperature range, min. | 356.12 | |||
| Temperature range, max. | 512.22 | |||
| Pvap | 1.33 | kPa | 356.12 | Calculated Property |
| Pvap | 3.02 | kPa | 373.46 | Calculated Property |
| Pvap | 6.24 | kPa | 390.81 | Calculated Property |
| Pvap | 11.98 | kPa | 408.15 | Calculated Property |
| Pvap | 21.56 | kPa | 425.50 | Calculated Property |
| Pvap | 36.71 | kPa | 442.84 | Calculated Property |
| Pvap | 59.60 | kPa | 460.19 | Calculated Property |
| Pvap | 92.82 | kPa | 477.53 | Calculated Property |
| Pvap | 139.37 | kPa | 494.88 | Calculated Property |
| Pvap | 202.65 | kPa | 512.22 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-butyl-2-methyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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