- InChI
- InChI=1S/C14H22/c1-4-6-7-13-8-10-14(11-9-13)12(3)5-2/h8-12H,4-7H2,1-3H3
- InChI Key
- JGTLOORHOKXNHM-UHFFFAOYSA-N
- Formula
- C14H22
- SMILES
- CCCCc1ccc(C(C)CC)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 | 0.5133 | Relay (1.0) Calculated Property | |
| ΔfG° | 167.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -122.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.543 | Crippen Calculated Property | |
| McVol | 184.360 | ml/mol | McGowan Calculated Property |
| Pc | 1996.55 | kPa | Joback Calculated Property |
| Inp | [1358.00; 1358.00] |
|
|
| Inp | 1358.00 | NIST | |
| Inp | 1358.00 | NIST | |
| I | [1566.00; 1622.00] |
|
|
| I | 1596.00 | NIST | |
| I | 1566.00 | NIST | |
| I | 1574.80 | NIST | |
| I | 1596.00 | NIST | |
| I | 1609.00 | NIST | |
| I | 1622.00 | NIST | |
| I | 1584.00 | NIST | |
| I | 1566.00 | NIST | |
| I | 1566.00 | NIST | |
| I | 1574.80 | NIST | |
| Tboil | 525.34 | K | Relay (1.0) Calculated Property |
| Tc | 724.36 | K | Relay (1.0) Calculated Property |
| Tfus | 218.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.692 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.45; 620.57] | 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 | -3.11260e+01 | |||
| Coefficient B | 1.20136e+00 | |||
| Coefficient C | -7.05160e-04 | |||
| Coefficient D | 1.55500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 247.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 312.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 370.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 421.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 467.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 507.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 541.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 572.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 598.13 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 620.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0035872; 0.0001908] | Pa×s | [271.48; 525.22] |
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 | -1.17032e+01 | |||
| Coefficient B | 1.64866e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 271.48 | |||
| Temperature range, max. | 525.22 | |||
| η | 0.0035872 | Pa×s | 271.48 | Calculated Property |
| η | 0.0020260 | Pa×s | 299.67 | Calculated Property |
| η | 0.0012624 | Pa×s | 327.87 | Calculated Property |
| η | 0.0008477 | Pa×s | 356.06 | Calculated Property |
| η | 0.0006036 | Pa×s | 384.25 | Calculated Property |
| η | 0.0004501 | Pa×s | 412.44 | Calculated Property |
| η | 0.0003486 | Pa×s | 440.64 | Calculated Property |
| η | 0.0002783 | Pa×s | 468.83 | Calculated Property |
| η | 0.0002280 | Pa×s | 497.02 | Calculated Property |
| η | 0.0001908 | Pa×s | 525.22 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-butyl-4-(1-methylpropyl).
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