- InChI
- InChI=1S/C13H20/c1-5-6-7-13-11(3)8-10(2)9-12(13)4/h8-9H,5-7H2,1-4H3
- InChI Key
- WGWIEEZKILSKOQ-UHFFFAOYSA-N
- Formula
- C13H20
- SMILES
- CCCCc1c(C)cc(C)cc1C
- 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).
- 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 | 0.5098 | Relay (1.0) Calculated Property | |
| ΔfG° | 142.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -83.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.954 | Crippen Calculated Property | |
| McVol | 170.270 | ml/mol | McGowan Calculated Property |
| Pc | 2104.20 | kPa | Joback Calculated Property |
| Inp | 1368.00 | NIST | |
| Tboil | 512.11 | K | Relay (1.0) Calculated Property |
| Tc | 709.24 | K | Relay (1.0) Calculated Property |
| Tfus | 238.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.638 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.66; 562.36] | 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 | 6.30000e-02 | |||
| Coefficient B | 9.81480e-01 | |||
| Coefficient C | -5.13480e-04 | |||
| Coefficient D | 9.43000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 231.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 287.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 337.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 382.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 422.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 458.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 489.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 517.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 541.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 562.36 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014318; 0.0001987] | Pa×s | [300.25; 517.01] |
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 | -1.12588e+01 | |||
| Coefficient B | 1.41416e+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. | 300.25 | |||
| Temperature range, max. | 517.01 | |||
| η | 0.0014318 | Pa×s | 300.25 | Calculated Property |
| η | 0.0010092 | Pa×s | 324.33 | Calculated Property |
| η | 0.0007466 | Pa×s | 348.42 | Calculated Property |
| η | 0.0005743 | Pa×s | 372.50 | Calculated Property |
| η | 0.0004560 | Pa×s | 396.59 | Calculated Property |
| η | 0.0003718 | Pa×s | 420.67 | Calculated Property |
| η | 0.0003099 | Pa×s | 444.76 | Calculated Property |
| η | 0.0002632 | Pa×s | 468.84 | Calculated Property |
| η | 0.0002272 | Pa×s | 492.93 | Calculated Property |
| η | 0.0001987 | Pa×s | 517.01 | Calculated Property |
Similar Compounds
Find more compounds similar to n-butylmesitylene.
Sources
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