- InChI
- InChI=1S/C12H18/c1-3-5-8-12-10-7-6-9-11(12)4-2/h6-7,9-10H,3-5,8H2,1-2H3
- InChI Key
- QTIAYNBMYSOJME-UHFFFAOYSA-N
- Formula
- C12H18
- SMILES
- CCCCc1ccccc1CC
- Molecular Weight1
- 162.27
- CAS
- 42548-38-9
- Other Names
-
- Benzene, 1-ethyl-2-butyl
- 1-ethyl-2-n-butylbenzene
- 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).
- 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 | 0.4635 | Relay (1.0) Calculated Property | |
| ΔfG° | 152.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -51.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.592 | Crippen Calculated Property | |
| McVol | 156.180 | ml/mol | McGowan Calculated Property |
| Pc | 2370.28 | kPa | Joback Calculated Property |
| Inp | [1208.00; 1220.10] |
|
|
| Inp | 1209.00 | NIST | |
| Inp | 1208.00 | NIST | |
| Inp | 1211.20 | NIST | |
| Inp | 1215.30 | NIST | |
| Inp | 1220.10 | NIST | |
| Inp | 1209.00 | NIST | |
| Ip | [1454.00; 1454.50] |
|
|
| Ip | 1454.50 | NIST | |
| Ip | 1454.00 | NIST | |
| Ip | 1454.00 | NIST | |
| Ip | 1454.50 | NIST | |
| Ip | 1454.00 | NIST | |
| Tboil | 492.35 | K | Relay (1.0) Calculated Property |
| Tc | 693.46 | K | Relay (1.0) Calculated Property |
| Tfus | 215.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.594 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.34; 516.85] | 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 | -2.76260e+01 | |||
| Coefficient B | 1.00544e+00 | |||
| Coefficient C | -5.93160e-04 | |||
| Coefficient D | 1.32200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 205.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 259.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 308.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 351.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 388.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 422.17 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 451.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 476.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 498.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 516.85 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0026290; 0.0002131] | Pa×s | [263.94; 494.43] |
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 | -1.13307e+01 | |||
| Coefficient B | 1.42252e+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. | 263.94 | |||
| Temperature range, max. | 494.43 | |||
| η | 0.0026290 | Pa×s | 263.94 | Calculated Property |
| η | 0.0016322 | Pa×s | 289.55 | Calculated Property |
| η | 0.0010949 | Pa×s | 315.16 | Calculated Property |
| η | 0.0007800 | Pa×s | 340.77 | Calculated Property |
| η | 0.0005826 | Pa×s | 366.38 | Calculated Property |
| η | 0.0004520 | Pa×s | 391.99 | Calculated Property |
| η | 0.0003619 | Pa×s | 417.60 | Calculated Property |
| η | 0.0002972 | Pa×s | 443.21 | Calculated Property |
| η | 0.0002494 | Pa×s | 468.82 | Calculated Property |
| η | 0.0002131 | Pa×s | 494.43 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-butyl-2-ethyl-.
Sources
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