- InChI
- InChI=1S/C11H16/c1-3-7-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3
- InChI Key
- LTHAIAJHDPJXLG-UHFFFAOYSA-N
- Formula
- C11H16
- SMILES
- CCCC(C)c1ccccc1
- Molecular Weight1
- 148.24
- CAS
- 2719-52-0
- Other Names
-
- (1-Methybutyl)benzene
- (1-Methylbutyl)benzene
- (dl) 2-phenylpentane
- 1-Methyl-1-Phenylbutane
- 1-Methyl-n-butylbenzene
- 1-Phenyl-1-methylbutane
- 2-Phenylpentane
- Benzene, sec-pentyl-
- sec-Pentylbenzene
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | -3.49 | Crippen Calculated Property | |
| logPoct/wat | 3.590 | Crippen Calculated Property | |
| McVol | 142.090 | ml/mol | McGowan Calculated Property |
| Pc | 2670.78 | kPa | Joback Calculated Property |
| Inp | [1069.00; 1098.00] |
|
|
| Inp | 1074.70 | NIST | |
| Inp | 1077.80 | NIST | |
| Inp | 1078.00 | NIST | |
| Inp | 1071.59 | NIST | |
| Inp | 1082.10 | NIST | |
| Inp | 1078.10 | NIST | |
| Inp | 1086.00 | NIST | |
| Inp | Outlier 1098.00 | NIST | |
| Inp | 1086.00 | NIST | |
| Inp | 1093.00 | NIST | |
| Inp | 1069.00 | NIST | |
| Inp | 1092.00 | NIST | |
| Inp | 1081.00 | NIST | |
| Inp | 1081.00 | NIST | |
| Inp | 1082.00 | NIST | |
| Inp | 1086.00 | NIST | |
| I | [1317.00; 1324.30] |
|
|
| I | 1324.30 | NIST | |
| I | 1317.00 | NIST | |
| I | 1317.00 | NIST | |
| I | 1324.30 | NIST | |
| Tboil | 477.32 | K | Joback Calculated Property |
| 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 |
| ΔvapH | 50.30 | kJ/mol | 384.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [341.74; 493.44] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43026e+01 | |||
| Coefficient B | -3.80497e+03 | |||
| Coefficient C | -7.02500e+01 | |||
| Temperature range, min. | 341.74 | |||
| Temperature range, max. | 493.44 | |||
| Pvap | 1.33 | kPa | 341.74 | Calculated Property |
| Pvap | 3.02 | kPa | 358.60 | Calculated Property |
| Pvap | 6.27 | kPa | 375.45 | Calculated Property |
| Pvap | 12.04 | kPa | 392.31 | Calculated Property |
| Pvap | 21.66 | kPa | 409.16 | Calculated Property |
| Pvap | 36.88 | kPa | 426.02 | Calculated Property |
| Pvap | 59.82 | kPa | 442.87 | Calculated Property |
| Pvap | 93.06 | kPa | 459.73 | Calculated Property |
| Pvap | 139.56 | kPa | 476.58 | Calculated Property |
| Pvap | 202.65 | kPa | 493.44 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (1-methylbutyl)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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