Chemical Properties of Hexacyclo[7:2:1:0(2,5):0(3,10):0(4,8):0(6,12)]dodacane

InChI

InChI=1S/C12H14/c1-3-7-5-2-6-8(7)4(1)10-9(3)11(5)12(6)10/h3-12H,1-2H2

InChI Key

VTRWGAFQJZEOAR-UHFFFAOYSA-N

Formula

C12H14

SMILES

C1C2C3C4CC5C3C1C1C2C4C51

Molecular Weight¹

158.24

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[157.80; 532.81]	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			-2.54990e+02
Coefficient B			2.00080e+00
Coefficient C			-2.00700e-03
Coefficient D			7.94000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	157.80	J/mol×K	273.00	Calculated Property
Cp,gas	236.81	J/mol×K	353.78	Calculated Property
Cp,gas	300.63	J/mol×K	434.56	Calculated Property
Cp,gas	351.76	J/mol×K	515.33	Calculated Property
Cp,gas	392.72	J/mol×K	596.11	Calculated Property
Cp,gas	426.01	J/mol×K	676.89	Calculated Property
Cp,gas	454.16	J/mol×K	757.67	Calculated Property
Cp,gas	479.67	J/mol×K	838.44	Calculated Property
Cp,gas	505.05	J/mol×K	919.22	Calculated Property
Cp,gas	532.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010285; 0.0278387]	Pa×s	[336.80; 469.72]	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			4.77614e+00
Coefficient B			-3.92566e+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.			336.80
Temperature range, max.			469.72
η	0.0010285	Pa×s	336.80	Calculated Property
η	0.0016783	Pa×s	351.57	Calculated Property
η	0.0026325	Pa×s	366.34	Calculated Property
η	0.0039876	Pa×s	381.11	Calculated Property
η	0.0058561	Pa×s	395.88	Calculated Property
η	0.0083656	Pa×s	410.64	Calculated Property
η	0.0116581	Pa×s	425.41	Calculated Property
η	0.0158888	Pa×s	440.18	Calculated Property
η	0.0212238	Pa×s	454.95	Calculated Property
η	0.0278387	Pa×s	469.72	Calculated Property

Similar Compounds

Find more compounds similar to Hexacyclo[7:2:1:0(2,5):0(3,10):0(4,8):0(6,12)]dodacane.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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