- InChI
- InChI=1S/C12H18/c1-3-7-11(2)10-12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3
- InChI Key
- LFBQYMCKHGBSJY-UHFFFAOYSA-N
- Formula
- C12H18
- SMILES
- CCCC(C)Cc1ccccc1
- Molecular Weight1
- 162.27
- CAS
- 39916-61-5
- Other Names
-
- (2-Methylpentyl)benzene
- 1-Phenyl-2-methylpentane
- 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.
- 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 | 0.4188 | Relay (1.0) Calculated Property | |
| ΔfG° | 160.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -55.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.665 | Crippen Calculated Property | |
| McVol | 156.180 | ml/mol | McGowan Calculated Property |
| Pc | 2424.27 | kPa | Joback Calculated Property |
| Inp | [1191.00; 1196.00] |
|
|
| Inp | 1191.00 | NIST | |
| Inp | 1191.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Inp | 1196.00 | NIST | |
| Tboil | 478.00 ± 5.00 | K | NIST |
| Tc | 685.14 | K | Relay (1.0) Calculated Property |
| Tfus | 201.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.572 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.75; 436.19] | J/mol×K | [500.40; 704.20] |
|
| Cp,gas | 345.75 | J/mol×K | 500.40 | Joback Calculated Property |
| Cp,gas | 363.08 | J/mol×K | 534.37 | Joback Calculated Property |
| Cp,gas | 379.45 | J/mol×K | 568.33 | Joback Calculated Property |
| Cp,gas | 394.92 | J/mol×K | 602.30 | Joback Calculated Property |
| Cp,gas | 409.50 | J/mol×K | 636.27 | Joback Calculated Property |
| Cp,gas | 423.25 | J/mol×K | 670.23 | Joback Calculated Property |
| Cp,gas | 436.19 | J/mol×K | 704.20 | Joback Calculated Property |
| η | [0.0001959; 0.0057131] | Pa×s | [236.42; 500.40] |
|
| η | 0.0057131 | Pa×s | 236.42 | Joback Calculated Property |
| η | 0.0020951 | Pa×s | 280.42 | Joback Calculated Property |
| η | 0.0010086 | Pa×s | 324.41 | Joback Calculated Property |
| η | 0.0005782 | Pa×s | 368.41 | Joback Calculated Property |
| η | 0.0003732 | Pa×s | 412.41 | Joback Calculated Property |
| η | 0.0002621 | Pa×s | 456.40 | Joback Calculated Property |
| η | 0.0001959 | Pa×s | 500.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (2-methylpentyl)-.
Sources
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