- InChI
- InChI=1S/C18H22/c1-11-7-17(8-12(2)15(11)5)18-9-13(3)16(6)14(4)10-18/h7-10H,1-6H3
- InChI Key
- JQDKLRDTPXELAB-UHFFFAOYSA-N
- Formula
- C18H22
- SMILES
-
Cc1cc(-c2cc(C)c(C)c(C)c2)cc(C)
c1C - Molecular Weight1
- 238.37
- 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).
- 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 | 0.5748 | Relay (1.0) Calculated Property | |
| ΔfG° | 267.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 25.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.204 | Crippen Calculated Property | |
| McVol | 216.960 | ml/mol | McGowan Calculated Property |
| Pc | 1774.35 | kPa | Joback Calculated Property |
| Tboil | 615.24 | K | Relay (1.0) Calculated Property |
| Tc | 847.92 | K | Relay (1.0) Calculated Property |
| Tfus | 406.00 ± 3.00 | K | NIST |
| Vc | 0.813 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [288.12; 692.67] | 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 | 4.51000e+00 | |||
| Coefficient B | 1.19912e+00 | |||
| Coefficient C | -6.15560e-04 | |||
| Coefficient D | 1.04600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 288.12 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 356.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 417.94 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 473.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 522.74 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 566.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 605.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 638.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 667.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 692.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007407; 0.0001480] | Pa×s | [406.00; 644.97] |
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 | -1.15542e+01 | |||
| Coefficient B | 1.76460e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 406.00 | |||
| Temperature range, max. | 644.97 | |||
| η | 0.0007407 | Pa×s | 406.00 | Calculated Property |
| η | 0.0005673 | Pa×s | 432.55 | Calculated Property |
| η | 0.0004481 | Pa×s | 459.10 | Calculated Property |
| η | 0.0003631 | Pa×s | 485.66 | Calculated Property |
| η | 0.0003008 | Pa×s | 512.21 | Calculated Property |
| η | 0.0002538 | Pa×s | 538.76 | Calculated Property |
| η | 0.0002176 | Pa×s | 565.31 | Calculated Property |
| η | 0.0001892 | Pa×s | 591.86 | Calculated Property |
| η | 0.0001665 | Pa×s | 618.41 | Calculated Property |
| η | 0.0001480 | Pa×s | 644.97 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,1'-Biphenyl, 3,3',4,4',5,5'-hexamethyl-.
Sources
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