- InChI
- InChI=1S/C13H20/c1-4-11(2)12(3)10-13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3
- InChI Key
- XXMOXJHABFGPJR-UHFFFAOYSA-N
- Formula
- C13H20
- SMILES
- CCC(C)C(C)Cc1ccccc1
- 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).
- 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 | 0.4122 | Relay (1.0) Calculated Property | |
| ΔfG° | 166.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -68.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.911 | Crippen Calculated Property | |
| McVol | 170.270 | ml/mol | McGowan Calculated Property |
| Pc | 2227.09 | kPa | Joback Calculated Property |
| Inp | 1314.00 | NIST | |
| Tboil | 504.43 | K | Relay (1.0) Calculated Property |
| Tc | 707.79 | K | Relay (1.0) Calculated Property |
| Tfus | 222.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.611 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [223.38; 572.56] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.61980e+01 | |||
| Coefficient B | 1.17176e+00 | |||
| Coefficient C | -7.21000e-04 | |||
| Coefficient D | 1.68000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 223.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 285.54 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 340.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 389.17 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 431.68 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 468.71 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 500.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 528.42 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 552.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 572.56 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0086915; 0.0001870] | Pa×s | [232.69; 509.72] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.18088e+01 | |||
| Coefficient B | 1.64358e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 232.69 | |||
| Temperature range, max. | 509.72 | |||
| η | 0.0086915 | Pa×s | 232.69 | Calculated Property |
| η | 0.0038082 | Pa×s | 263.47 | Calculated Property |
| η | 0.0019830 | Pa×s | 294.25 | Calculated Property |
| η | 0.0011684 | Pa×s | 325.03 | Calculated Property |
| η | 0.0007544 | Pa×s | 355.81 | Calculated Property |
| η | 0.0005223 | Pa×s | 386.59 | Calculated Property |
| η | 0.0003817 | Pa×s | 417.37 | Calculated Property |
| η | 0.0002912 | Pa×s | 448.16 | Calculated Property |
| η | 0.0002301 | Pa×s | 478.94 | Calculated Property |
| η | 0.0001870 | Pa×s | 509.72 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2,3-dimethylpentyl.
Sources
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