- InChI
- InChI=1S/C12H18/c1-3-8-11(4-2)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3
- InChI Key
- SLVCCWGFGQVDMN-UHFFFAOYSA-N
- Formula
- C12H18
- SMILES
- CCCC(CC)c1ccccc1
- Molecular Weight1
- 162.27
- CAS
- 4468-42-2
- Other Names
-
- (1-Ethylbutyl)benzene
- (3-Hexyl)benzene
- 3-Phenylhexane
- Hexane, 3-phenyl-
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -6757.00 | kJ/mol | NIST |
| ΔfG° | 160.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -59.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.19 | kJ/mol | Joback Calculated Property |
| log10WS | -3.91 | Crippen Calculated Property | |
| logPoct/wat | 3.980 | Crippen Calculated Property | |
| McVol | 156.180 | ml/mol | McGowan Calculated Property |
| Pc | 2424.27 | kPa | Joback Calculated Property |
| I | [1352.00; 1352.40] |
|
|
| I | 1352.40 | NIST | |
| I | 1352.00 | NIST | |
| I | 1352.00 | NIST | |
| Tboil | [474.90; 483.00] | K |
|
| Tboil | 481.40 ± 0.20 | K | NIST |
| Tboil | 474.90 ± 4.00 | K | NIST |
| Tboil | 483.00 ± 2.00 | K | NIST |
| Tc | 703.92 | K | Joback Calculated Property |
| Tfus | 217.78 ± 0.20 | K | NIST |
| Vc | 0.594 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.64; 436.08] | J/mol×K | [500.20; 703.92] |
|
| Cp,gas | 345.64 | J/mol×K | 500.20 | Joback Calculated Property |
| Cp,gas | 362.97 | J/mol×K | 534.15 | Joback Calculated Property |
| Cp,gas | 379.35 | J/mol×K | 568.11 | Joback Calculated Property |
| Cp,gas | 394.81 | J/mol×K | 602.06 | Joback Calculated Property |
| Cp,gas | 409.40 | J/mol×K | 636.01 | Joback Calculated Property |
| Cp,gas | 423.14 | J/mol×K | 669.96 | Joback Calculated Property |
| Cp,gas | 436.08 | J/mol×K | 703.92 | Joback Calculated Property |
| η | [0.0001961; 0.0057131] | Pa×s | [236.42; 500.20] |
|
| η | 0.0057131 | Pa×s | 236.42 | Joback Calculated Property |
| η | 0.0020964 | Pa×s | 280.38 | Joback Calculated Property |
| η | 0.0010095 | Pa×s | 324.35 | Joback Calculated Property |
| η | 0.0005788 | Pa×s | 368.31 | Joback Calculated Property |
| η | 0.0003736 | Pa×s | 412.27 | Joback Calculated Property |
| η | 0.0002624 | Pa×s | 456.24 | Joback Calculated Property |
| η | 0.0001961 | Pa×s | 500.20 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [360.22; 512.06] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.47422e+01 | |||
| Coefficient B | -4.12002e+03 | |||
| Coefficient C | -7.51880e+01 | |||
| Temperature range, min. | 360.22 | |||
| Temperature range, max. | 512.06 | |||
| Pvap | 1.33 | kPa | 360.22 | Calculated Property |
| Pvap | 2.99 | kPa | 377.09 | Calculated Property |
| Pvap | 6.16 | kPa | 393.96 | Calculated Property |
| Pvap | 11.79 | kPa | 410.83 | Calculated Property |
| Pvap | 21.22 | kPa | 427.70 | Calculated Property |
| Pvap | 36.18 | kPa | 444.58 | Calculated Property |
| Pvap | 58.89 | kPa | 461.45 | Calculated Property |
| Pvap | 92.03 | kPa | 478.32 | Calculated Property |
| Pvap | 138.74 | kPa | 495.19 | Calculated Property |
| Pvap | 202.64 | kPa | 512.06 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (1-ethylbutyl)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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