- InChI
- InChI=1S/C13H20/c1-3-4-6-9-12(2)13-10-7-5-8-11-13/h5,7-8,10-12H,3-4,6,9H2,1-2H3
- InChI Key
- CAEGRAMHTMWFPP-UHFFFAOYSA-N
- Formula
- C13H20
- SMILES
- CCCCCC(C)c1ccccc1
- Molecular Weight1
- 176.30
- Other Names
-
- Heptane, 2-phenyl-
- (1-Methylhexyl)benzene
- 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 | 0.4502 | Relay (1.0) Calculated Property | |
| ΔfG° | 168.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -77.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.370 | Crippen Calculated Property | |
| McVol | 170.270 | ml/mol | McGowan Calculated Property |
| Pc | 2210.37 | kPa | Joback Calculated Property |
| Inp | [1281.00; 1354.00] |
|
|
| Inp | 1300.00 | NIST | |
| Inp | 1320.00 | NIST | |
| Inp | 1281.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 1281.00 | NIST | |
| Tboil | 506.25 | K | Relay (1.0) Calculated Property |
| Tc | 706.54 | K | Relay (1.0) Calculated Property |
| Tfus | 222.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.633 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.14; 487.33] | J/mol×K | [523.28; 724.21] |
|
| Cp,gas | 393.14 | J/mol×K | 523.28 | Joback Calculated Property |
| Cp,gas | 411.16 | J/mol×K | 556.77 | Joback Calculated Property |
| Cp,gas | 428.20 | J/mol×K | 590.26 | Joback Calculated Property |
| Cp,gas | 444.29 | J/mol×K | 623.74 | Joback Calculated Property |
| Cp,gas | 459.49 | J/mol×K | 657.23 | Joback Calculated Property |
| Cp,gas | 473.82 | J/mol×K | 690.72 | Joback Calculated Property |
| Cp,gas | 487.33 | J/mol×K | 724.21 | Joback Calculated Property |
| η | [0.0001830; 0.0055617] | Pa×s | [247.69; 523.28] |
|
| η | 0.0055617 | Pa×s | 247.69 | Joback Calculated Property |
| η | 0.0020173 | Pa×s | 293.62 | Joback Calculated Property |
| η | 0.0009627 | Pa×s | 339.55 | Joback Calculated Property |
| η | 0.0005480 | Pa×s | 385.49 | Joback Calculated Property |
| η | 0.0003517 | Pa×s | 431.42 | Joback Calculated Property |
| η | 0.0002458 | Pa×s | 477.35 | Joback Calculated Property |
| η | 0.0001830 | Pa×s | 523.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (1-methylhexyl)-.
Sources
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