- InChI
- InChI=1S/C13H20/c1-4-5-6-7-13-10-11(2)8-9-12(13)3/h8-10H,4-7H2,1-3H3
- InChI Key
- ROQGPVNKDWWQAW-UHFFFAOYSA-N
- Formula
- C13H20
- SMILES
- CCCCCc1cc(C)ccc1C
- Molecular Weight1
- 176.30
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5207 | Relay (1.0) Calculated Property | |
| ΔfG° | 151.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -83.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.036 | Crippen Calculated Property | |
| McVol | 170.270 | ml/mol | McGowan Calculated Property |
| Pc | 2133.46 | kPa | Joback Calculated Property |
| I | [1594.00; 1648.00] |
|
|
| I | 1608.00 | NIST | |
| I | 1609.00 | NIST | |
| I | 1624.00 | NIST | |
| I | 1632.00 | NIST | |
| I | 1648.00 | NIST | |
| I | 1594.00 | NIST | |
| Tboil | 518.00 | K | Relay (1.0) Calculated Property |
| Tc | 708.34 | K | Relay (1.0) Calculated Property |
| Tfus | 244.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.649 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.08; 483.65] | J/mol×K | [533.68; 732.54] |
|
| Cp,gas | 394.08 | J/mol×K | 533.68 | Joback Calculated Property |
| Cp,gas | 411.00 | J/mol×K | 566.82 | Joback Calculated Property |
| Cp,gas | 427.08 | J/mol×K | 599.97 | Joback Calculated Property |
| Cp,gas | 442.37 | J/mol×K | 633.11 | Joback Calculated Property |
| Cp,gas | 456.87 | J/mol×K | 666.25 | Joback Calculated Property |
| Cp,gas | 470.62 | J/mol×K | 699.39 | Joback Calculated Property |
| Cp,gas | 483.65 | J/mol×K | 732.54 | Joback Calculated Property |
| η | [0.0001828; 0.0019117] | Pa×s | [287.73; 533.68] |
|
| η | 0.0019117 | Pa×s | 287.73 | Joback Calculated Property |
| η | 0.0010130 | Pa×s | 328.72 | Joback Calculated Property |
| η | 0.0006179 | Pa×s | 369.71 | Joback Calculated Property |
| η | 0.0004160 | Pa×s | 410.71 | Joback Calculated Property |
| η | 0.0003010 | Pa×s | 451.70 | Joback Calculated Property |
| η | 0.0002298 | Pa×s | 492.69 | Joback Calculated Property |
| η | 0.0001828 | Pa×s | 533.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,4-dimethyl-2-pentyl.
Sources
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