- InChI
- InChI=1S/C14H22/c1-5-6-7-12-8-10-13(11-9-12)14(2,3)4/h8-11H,5-7H2,1-4H3
- InChI Key
- BDSMPLDBKOVNHW-UHFFFAOYSA-N
- Formula
- C14H22
- SMILES
- CCCCc1ccc(C(C)(C)C)cc1
- Molecular Weight1
- 190.32
- 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.
- 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 | 0.4719 | Relay (1.0) Calculated Property | |
| ΔfG° | 172.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -110.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.327 | Crippen Calculated Property | |
| McVol | 184.360 | ml/mol | McGowan Calculated Property |
| Pc | 2016.32 | kPa | Joback Calculated Property |
| Inp | [1345.00; 1345.00] |
|
|
| Inp | 1345.00 | NIST | |
| Inp | 1345.00 | NIST | |
| I | [1559.00; 1566.50] |
|
|
| I | 1566.50 | NIST | |
| I | 1559.00 | NIST | |
| I | 1559.00 | NIST | |
| I | 1566.50 | NIST | |
| Tboil | 520.04 | K | Relay (1.0) Calculated Property |
| Tc | 715.64 | K | Relay (1.0) Calculated Property |
| Tfus | 210.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.697 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [246.31; 621.50] | 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 | -5.39170e+01 | |||
| Coefficient B | 1.32128e+00 | |||
| Coefficient C | -8.73760e-04 | |||
| Coefficient D | 2.27900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 246.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 314.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 373.95 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 426.13 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 471.50 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 510.78 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 544.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 573.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 599.35 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 621.50 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0033632; 0.0001838] | Pa×s | [288.90; 528.69] |
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 | -1.21032e+01 | |||
| Coefficient B | 1.85138e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 288.90 | |||
| Temperature range, max. | 528.69 | |||
| η | 0.0033632 | Pa×s | 288.90 | Calculated Property |
| η | 0.0019577 | Pa×s | 315.54 | Calculated Property |
| η | 0.0012398 | Pa×s | 342.19 | Calculated Property |
| η | 0.0008387 | Pa×s | 368.83 | Calculated Property |
| η | 0.0005981 | Pa×s | 395.48 | Calculated Property |
| η | 0.0004451 | Pa×s | 422.12 | Calculated Property |
| η | 0.0003430 | Pa×s | 448.76 | Calculated Property |
| η | 0.0002722 | Pa×s | 475.41 | Calculated Property |
| η | 0.0002214 | Pa×s | 502.05 | Calculated Property |
| η | 0.0001838 | Pa×s | 528.69 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-butyl-4-(1,1-dimethylethyl).
Sources
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