- 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
- 29316-05-0
- 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, (1-methylbutyl)-
- Sec-amylbenzene
- sec-pentylbenzene
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- 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 | 0.3598 | Relay (1.0) Calculated Property | |
| ΔfG° | 151.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -37.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.26 | Relay (1.0) 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 | |
| Inp | 1074.70 | NIST | |
| Inp | 1078.10 | NIST | |
| Inp | 1093.00 | NIST | |
| Ip | [1317.00; 1324.30] |
|
|
| Ip | 1324.30 | NIST | |
| Ip | 1317.00 | NIST | |
| Ip | 1317.00 | NIST | |
| Ip | 1317.00 | NIST | |
| Ip | 1324.30 | NIST | |
| Tboil | [462.40; 477.00] | K |
|
| Tboil | 462.40 ± 4.00 | K | NIST |
| Tboil | 466.00 ± 3.00 | K | NIST |
| Tboil | 466.15 ± 2.00 | K | NIST |
| Tboil | 466.00 ± 8.00 | K | NIST |
| Tboil | 465.00 ± 3.00 | K | NIST |
| Tboil | 465.00 ± 4.00 | K | NIST |
| Tboil | 465.00 ± 3.00 | K | NIST |
| Tboil | Outlier 477.00 ± 4.00 | K | NIST |
| Tboil | 465.00 ± 3.00 | K | NIST |
| Tboil | 464.00 ± 4.00 | K | NIST |
| Tc | 672.36 | K | Relay (1.0) Calculated Property |
| Tfus | 203.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.520 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 50.30 | kJ/mol | 384.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [181.26; 468.84] | 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 | -4.26980e+01 | |||
| Coefficient B | 9.75840e-01 | |||
| Coefficient C | -6.09000e-04 | |||
| Coefficient D | 1.44700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 181.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 232.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 278.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 318.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 353.26 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 383.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 410.00 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 432.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 452.12 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 468.84 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0114153; 0.0002054] | Pa×s | [203.15; 478.94] |
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 | -1.14501e+01 | |||
| Coefficient B | 1.41744e+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. | 203.15 | |||
| Temperature range, max. | 478.94 | |||
| η | 0.0114153 | Pa×s | 203.15 | Calculated Property |
| η | 0.0045742 | Pa×s | 233.79 | Calculated Property |
| η | 0.0022656 | Pa×s | 264.44 | Calculated Property |
| η | 0.0012985 | Pa×s | 295.08 | Calculated Property |
| η | 0.0008264 | Pa×s | 325.72 | Calculated Property |
| η | 0.0005684 | Pa×s | 356.37 | Calculated Property |
| η | 0.0004149 | Pa×s | 387.01 | Calculated Property |
| η | 0.0003171 | Pa×s | 417.66 | Calculated Property |
| η | 0.0002514 | Pa×s | 448.30 | Calculated Property |
| η | 0.0002054 | Pa×s | 478.94 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [341.74; 493.44] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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 |
| Pvap | [0.13; 101.38] | kPa | [302.00; 466.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.50251e+01 | |||
| Coefficient B | -4.37941e+03 | |||
| Coefficient C | -4.51530e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 302.00 | |||
| Temperature range, max. | 466.00 | |||
| Pvap | 0.13 | kPa | 302.00 | Calculated Property |
| Pvap | 0.41 | kPa | 320.22 | Calculated Property |
| Pvap | 1.10 | kPa | 338.44 | Calculated Property |
| Pvap | 2.63 | kPa | 356.67 | Calculated Property |
| Pvap | 5.72 | kPa | 374.89 | Calculated Property |
| Pvap | 11.46 | kPa | 393.11 | Calculated Property |
| Pvap | 21.44 | kPa | 411.33 | Calculated Property |
| Pvap | 37.80 | kPa | 429.56 | Calculated Property |
| Pvap | 63.30 | kPa | 447.78 | Calculated Property |
| Pvap | 101.38 | kPa | 466.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, sec-pentyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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