- InChI
- InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
- InChI Key
- ZJMWRROPUADPEA-UHFFFAOYSA-N
- Formula
- C10H14
- SMILES
- CCC(C)c1ccccc1
- Molecular Weight1
- 134.22
- CAS
- 135-98-8
- Other Names
-
- (1-Methylpropyl)benzene
- 1-METHYL-PROPYLBENZENE
- 2-PHENYLBUTANE
- Benzene, sec-butyl-
- SEC-BUTYLBENZENE
- Secondary butylbenzene
- UN 2709
- s-Butylbenzene
- «alpha»-methylpropylbenzene
- «alpha»-methylpropylbenzene
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- Δc,grossH : Heat of Combustion, Gross form (kJ/mol).
- Δc,netH : Heat of Combustion, Net Form (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- n0 : Refractive Index.
- ρl : Liquid Density (kg/m3).
- 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 | 0.2740 | KDB | |
| ΔcH°liquid | -5869.50 ± 1.10 | kJ/mol | NIST |
| μ | 0.40 | debye | KDB |
| ΔfG° | 143.29 | kJ/mol | Joback Calculated Property |
| Δc,grossH | 5877.68 | kJ/mol | KDB |
| Δc,netH | 5570.160 | kJ/mol | KDB |
| ΔfH°gas | [-17.46; -17.40] | kJ/mol |
|
| ΔfH°gas | -17.46 | kJ/mol | KDB |
| ΔfH°gas | -17.40 ± 1.40 | kJ/mol | NIST |
| ΔfH°liquid | -66.00 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | 12.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [47.99; 49.50] | kJ/mol |
|
| ΔvapH° | 47.99 | kJ/mol | NIST |
| ΔvapH° | 48.10 | kJ/mol | NIST |
| ΔvapH° | 49.50 | kJ/mol | NIST |
| ΔvapH° | 48.60 | kJ/mol | NIST |
| IE | [8.66; 8.68] | eV |
|
| IE | 8.68 ± 0.01 | eV | NIST |
| IE | 8.68 | eV | NIST |
| IE | 8.68 ± 0.01 | eV | NIST |
| IE | 8.68 ± 0.01 | eV | NIST |
| IE | 8.66 ± 0.05 | eV | NIST |
| log10WS | -3.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.200 | Crippen Calculated Property | |
| McVol | 128.000 | ml/mol | McGowan Calculated Property |
| Pc | 2940.00 | kPa | KDB |
| Inp | [983.00; 1020.00] |
|
|
| Inp | 997.00 | NIST | |
| Inp | 998.00 | NIST | |
| Inp | 1004.90 | NIST | |
| Inp | 1010.90 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 1004.00 | NIST | |
| Inp | 1007.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 987.00 | NIST | |
| Inp | 992.80 | NIST | |
| Inp | 993.30 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 1017.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | Outlier 1019.00 | NIST | |
| Inp | 986.40 | NIST | |
| Inp | 989.10 | NIST | |
| Inp | 1005.70 | NIST | |
| Inp | 1011.90 | NIST | |
| Inp | Outlier 1019.20 | NIST | |
| Inp | 986.40 | NIST | |
| Inp | 986.40 | NIST | |
| Inp | 989.10 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 983.15 | NIST | |
| Inp | 1015.00 | NIST | |
| Inp | 993.10 | NIST | |
| Inp | 993.10 | NIST | |
| Inp | 989.80 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 1010.00 | NIST | |
| Inp | 997.90 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | 1006.40 | NIST | |
| Inp | 1008.90 | NIST | |
| Inp | 1011.70 | NIST | |
| Inp | 992.10 | NIST | |
| Inp | 994.10 | NIST | |
| Inp | 994.70 | NIST | |
| Inp | 999.10 | NIST | |
| Inp | 1006.40 | NIST | |
| Inp | 1008.90 | NIST | |
| Inp | 1011.70 | NIST | |
| Inp | 996.50 | NIST | |
| Inp | 996.78 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 998.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 996.00 | NIST | |
| Inp | 1015.20 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 1011.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 998.00 | NIST | |
| Inp | 1006.00 | NIST | |
| Inp | 997.00 | NIST | |
| Inp | 995.00 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1008.70 | NIST | |
| Inp | 1010.70 | NIST | |
| Inp | 990.00 | NIST | |
| Inp | 993.00 | NIST | |
| Inp | 996.00 | NIST | |
| Inp | 1002.00 | NIST | |
| Inp | Outlier 1020.00 | NIST | |
| Inp | 994.00 | NIST | |
| Inp | 983.00 | NIST | |
| I | [1224.00; 1312.00] |
|
|
| I | 1248.10 | NIST | |
| I | 1241.70 | NIST | |
| I | 1227.20 | NIST | |
| I | 1259.00 | NIST | |
| I | Outlier 1312.00 | NIST | |
| I | 1260.00 | NIST | |
| I | 1262.00 | NIST | |
| I | 1273.00 | NIST | |
| I | 1287.00 | NIST | |
| I | 1298.00 | NIST | |
| I | 1250.00 | NIST | |
| I | 1227.00 | NIST | |
| I | Outlier 1311.00 | NIST | |
| I | 1224.00 | NIST | |
| I | 1248.00 | NIST | |
| I | 1227.00 | NIST | |
| I | 1248.00 | NIST | |
| I | 1235.00 | NIST | |
| I | 1248.00 | NIST | |
| Tboil | 446.50 | K | KDB |
| Tc | 664.00 | K | KDB |
| Tfus | [197.00; 199.76] | K |
|
| Tfus | 197.70 | K | KDB |
| Tfus | 197.85 ± 0.20 | K | NIST |
| Tfus | Outlier 199.76 ± 0.20 | K | NIST |
| Tfus | 197.68 ± 0.04 | K | NIST |
| Tfus | 197.46 ± 0.10 | K | NIST |
| Tfus | 197.00 ± 0.70 | K | NIST |
| Vc | 0.464 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.43; 337.41] | J/mol×K | [454.44; 663.87] |
|
| Cp,gas | 256.43 | J/mol×K | 454.44 | Joback Calculated Property |
| Cp,gas | 272.00 | J/mol×K | 489.35 | Joback Calculated Property |
| Cp,gas | 286.70 | J/mol×K | 524.25 | Joback Calculated Property |
| Cp,gas | 300.56 | J/mol×K | 559.16 | Joback Calculated Property |
| Cp,gas | 313.60 | J/mol×K | 594.06 | Joback Calculated Property |
| Cp,gas | 325.87 | J/mol×K | 628.97 | Joback Calculated Property |
| Cp,gas | 337.41 | J/mol×K | 663.87 | Joback Calculated Property |
| Cp,liquid | 241.70 | J/mol×K | 293.74 | NIST |
| η | [0.0002163; 0.0057217] | Pa×s | [213.88; 454.44] |
|
| η | 0.0057217 | Pa×s | 213.88 | Joback Calculated Property |
| η | 0.0021545 | Pa×s | 253.97 | Joback Calculated Property |
| η | 0.0010588 | Pa×s | 294.07 | Joback Calculated Property |
| η | 0.0006171 | Pa×s | 334.16 | Joback Calculated Property |
| η | 0.0004037 | Pa×s | 374.25 | Joback Calculated Property |
| η | 0.0002868 | Pa×s | 414.35 | Joback Calculated Property |
| η | 0.0002163 | Pa×s | 454.44 | Joback Calculated Property |
| ΔvapH | [37.80; 50.60] | kJ/mol | [308.00; 416.00] |
|
| ΔvapH | 50.60 | kJ/mol | 308.00 | NIST |
| ΔvapH | 44.00 | kJ/mol | 408.00 | NIST |
| ΔvapH | 45.70 ± 0.20 | kJ/mol | 413.00 | NIST |
| ΔvapH | 43.20 ± 0.20 | kJ/mol | 413.00 | NIST |
| ΔvapH | 40.60 ± 0.30 | kJ/mol | 413.00 | NIST |
| ΔvapH | 37.80 ± 0.50 | kJ/mol | 413.00 | NIST |
| ΔvapH | 42.80 | kJ/mol | 416.00 | NIST |
| n0 | [1.48779; 1.48900] | [293.10; 298.15] |
|
|
| n0 | 1.48900 | 293.10 | Phase equilibria for the extraction of sec-butylbenzene from dodecane with N,N-dimethylformamide | |
| n0 | 1.48779 | 298.15 | KDB | |
| ρl | [837.48; 862.00] | kg/m3 | [293.00; 323.15] |
|
| ρl | 862.00 | kg/m3 | 293.00 | KDB |
| ρl | 861.95 | kg/m3 | 293.15 | Densities, speeds of sound, refractive indices, viscosities and their related thermodynamic properties for n-hexadecane + two aromatic hydrocarbons binary mixtures at temperatures from 298.15 K to 318.15 K |
| ρl | 857.95 | kg/m3 | 298.15 | Thermodynamic study of 1,1,2,2-tetrachloroethane + hydrocarbon mixtures I. Excess and solvation enthalpies |
| ρl | 857.89 | kg/m3 | 298.15 | Densities, speeds of sound, refractive indices, viscosities and their related thermodynamic properties for n-hexadecane + two aromatic hydrocarbons binary mixtures at temperatures from 298.15 K to 318.15 K |
| ρl | 849.78 | kg/m3 | 308.15 | Densities, speeds of sound, refractive indices, viscosities and their related thermodynamic properties for n-hexadecane + two aromatic hydrocarbons binary mixtures at temperatures from 298.15 K to 318.15 K |
| ρl | 841.64 | kg/m3 | 318.15 | Densities, speeds of sound, refractive indices, viscosities and their related thermodynamic properties for n-hexadecane + two aromatic hydrocarbons binary mixtures at temperatures from 298.15 K to 318.15 K |
| ρl | 837.48 | kg/m3 | 323.15 | Densities, speeds of sound, refractive indices, viscosities and their related thermodynamic properties for n-hexadecane + two aromatic hydrocarbons binary mixtures at temperatures from 298.15 K to 318.15 K |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [329.18; 487.90] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.36653e+01 | |||
| Coefficient B | -3.53055e+03 | |||
| Coefficient C | -6.52710e+01 | |||
| Temperature range, min. | 329.18 | |||
| Temperature range, max. | 487.90 | |||
| Pvap | 1.33 | kPa | 329.18 | Calculated Property |
| Pvap | 3.08 | kPa | 346.82 | Calculated Property |
| Pvap | 6.45 | kPa | 364.45 | Calculated Property |
| Pvap | 12.45 | kPa | 382.09 | Calculated Property |
| Pvap | 22.40 | kPa | 399.72 | Calculated Property |
| Pvap | 38.01 | kPa | 417.36 | Calculated Property |
| Pvap | 61.32 | kPa | 434.99 | Calculated Property |
| Pvap | 94.72 | kPa | 452.63 | Calculated Property |
| Pvap | 140.86 | kPa | 470.26 | Calculated Property |
| Pvap | 202.66 | kPa | 487.90 | Calculated Property |
| Pvap | [3.03e-06; 2983.03] | kPa | [197.72; 664.54] |
KDB Vapor Pressure Data
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.04720e+02 | |||
| Coefficient B | -9.56288e+03 | |||
| Coefficient C | -1.31111e+01 | |||
| Coefficient D | 6.52492e-06 | |||
| Temperature range, min. | 197.72 | |||
| Temperature range, max. | 664.54 | |||
| Pvap | 3.03e-06 | kPa | 197.72 | Calculated Property |
| Pvap | 3.85e-03 | kPa | 249.59 | Calculated Property |
| Pvap | 0.28 | kPa | 301.46 | Calculated Property |
| Pvap | 4.67 | kPa | 353.33 | Calculated Property |
| Pvap | 32.02 | kPa | 405.20 | Calculated Property |
| Pvap | 128.67 | kPa | 457.06 | Calculated Property |
| Pvap | 367.67 | kPa | 508.93 | Calculated Property |
| Pvap | 841.07 | kPa | 560.80 | Calculated Property |
| Pvap | 1661.80 | kPa | 612.67 | Calculated Property |
| Pvap | 2983.03 | kPa | 664.54 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (1-methylpropyl)-.
Mixtures
- Dodecane + Formamide, N,N-dimethyl- + Benzene, (1-methylpropyl)-
- Benzene, (1-methylpropyl)- + Ethane, 1,1,2,2-tetrachloro-
- Hexadecane + Benzene, (1-methylpropyl)-
- Benzene, (1-methylpropyl)- + Water
- Carbon dioxide + Benzene, (1-methylpropyl)-
- Dodecane + 2-Pyrrolidinone, 1-methyl- + Benzene, (1-methylpropyl)-
- Benzene, (1-methylpropyl)- + Decane + Thiophene, tetrahydro-, 1,1-dioxide
- Dodecane + Benzene, (1-methylpropyl)- + Thiophene, tetrahydro-, 1,1-dioxide
- Benzene, (1-methylpropyl)- + Tetradecane + Thiophene, tetrahydro-, 1,1-dioxide
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Phase equilibria for the extraction of sec-butylbenzene from dodecane with N,N-dimethylformamide
- Thermodynamic study of 1,1,2,2-tetrachloroethane + hydrocarbon mixtures I. Excess and solvation enthalpies
- Densities, speeds of sound, refractive indices, viscosities and their related thermodynamic properties for n-hexadecane + two aromatic hydrocarbons binary mixtures at temperatures from 298.15 K to 318.15 K
- Measurement and Correlation of Phase Equilibria for Dodecane + sec-Butylbenzene + N-Methyl-2-pyrrolidone
- Saturated Heat Capacities of Some Linear and Branched Alkylbenzenes between (332 and 401) K
- Liquid Liquid Equilibria of Alkane (C10 C14) + sec-Butylbenzene + Sulfolane
- Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
- Diffusion Coefficients of Isobutylbenzene, sec-Butylbenzene, and 3-Methylbutylbenzene in Supercritical Carbon Dioxide
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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