- InChI
- InChI=1S/C13H20/c1-3-4-5-6-9-13-10-7-8-12(2)11-13/h7-8,10-11H,3-6,9H2,1-2H3
- InChI Key
- VQKSJIPXAXUTKY-UHFFFAOYSA-N
- Formula
- C13H20
- SMILES
- CCCCCCc1cccc(C)c1
- Molecular Weight1
- 176.30
- CAS
- 1595-03-5
- Other Names
-
- 1-Methyl-3-hexylbenzene
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 161.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -86.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.47 | kJ/mol | Joback Calculated Property |
| log10WS | -4.42 | Crippen Calculated Property | |
| logPoct/wat | 4.118 | Crippen Calculated Property | |
| McVol | 170.270 | ml/mol | McGowan Calculated Property |
| Pc | 2163.33 | kPa | Joback Calculated Property |
| I | [1584.00; 1635.00] |
|
|
| I | 1596.00 | NIST | |
| I | 1596.00 | NIST | |
| I | 1609.00 | NIST | |
| I | 1622.00 | NIST | |
| I | 1635.00 | NIST | |
| I | 1584.00 | NIST | |
| Tboil | 528.50 | K | Joback Calculated Property |
| Tc | 726.20 | K | Joback Calculated Property |
| Tfus | 275.21 | K | Joback Calculated Property |
| Vc | 0.655 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.45; 484.29] | J/mol×K | [528.50; 726.20] |
|
| Cp,gas | 393.45 | J/mol×K | 528.50 | Joback Calculated Property |
| Cp,gas | 410.68 | J/mol×K | 561.45 | Joback Calculated Property |
| Cp,gas | 427.04 | J/mol×K | 594.40 | Joback Calculated Property |
| Cp,gas | 442.55 | J/mol×K | 627.35 | Joback Calculated Property |
| Cp,gas | 457.24 | J/mol×K | 660.30 | Joback Calculated Property |
| Cp,gas | 471.14 | J/mol×K | 693.25 | Joback Calculated Property |
| Cp,gas | 484.29 | J/mol×K | 726.20 | Joback Calculated Property |
| η | [0.0001884; 0.0026431] | Pa×s | [275.21; 528.50] |
|
| η | 0.0026431 | Pa×s | 275.21 | Joback Calculated Property |
| η | 0.0012700 | Pa×s | 317.42 | Joback Calculated Property |
| η | 0.0007248 | Pa×s | 359.64 | Joback Calculated Property |
| η | 0.0004654 | Pa×s | 401.86 | Joback Calculated Property |
| η | 0.0003251 | Pa×s | 444.07 | Joback Calculated Property |
| η | 0.0002417 | Pa×s | 486.28 | Joback Calculated Property |
| η | 0.0001884 | Pa×s | 528.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-methyl-3-hexyl-.
Sources
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