Chemical Properties of Pentacyclo[6.3.1.0(2,7).0(3,5).0(9,11)]dodecane

InChI

InChI=1S/C12H16/c1-5-2-10-9-4-11(8-3-7(8)9)12(10)6(1)5/h5-12H,1-4H2

InChI Key

CUEVXBHHOPVSBW-UHFFFAOYSA-N

Formula

C12H16

SMILES

C1C2C3CC(C12)C1C2CC2CC31

Molecular Weight¹

160.26

• Δ_cH°_liquid : Standard liquid 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°_liquid : Liquid 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

Property	Value	Unit	Source
ΔcH°liquid	-7136.30 ± 3.90	kJ/mol	NIST
ΔfH°gas	185.50	kJ/mol	NIST
ΔfH°liquid	127.50 ± 3.90	kJ/mol	NIST
ΔfusH°	27.02	kJ/mol	Joback Calculated Property
ΔvapH°	[58.00; 58.00]	kJ/mol
ΔvapH°	58.00	kJ/mol	NIST
ΔvapH°	58.00	kJ/mol	NIST
IE	8.75	eV	Relay (1.0) Calculated Property
logPoct/wat	2.544		Crippen Calculated Property
McVol	125.640	ml/mol	McGowan Calculated Property

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	[164.31; 551.75]	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			-2.26050e+02
Coefficient B			1.84760e+00
Coefficient C			-1.70300e-03
Coefficient D			6.33200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.31	J/mol×K	273.00	Calculated Property
Cp,gas	242.48	J/mol×K	353.78	Calculated Property
Cp,gas	307.20	J/mol×K	434.56	Calculated Property
Cp,gas	360.47	J/mol×K	515.33	Calculated Property
Cp,gas	404.30	J/mol×K	596.11	Calculated Property
Cp,gas	440.67	J/mol×K	676.89	Calculated Property
Cp,gas	471.60	J/mol×K	757.67	Calculated Property
Cp,gas	499.09	J/mol×K	838.44	Calculated Property
Cp,gas	525.14	J/mol×K	919.22	Calculated Property
Cp,gas	551.75	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006245; 0.0107167]	Pa×s	[312.54; 482.52]	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			6.90797e-01
Coefficient B			-2.52202e+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.			312.54
Temperature range, max.			482.52
η	0.0006245	Pa×s	312.54	Calculated Property
η	0.0009890	Pa×s	331.43	Calculated Property
η	0.0014907	Pa×s	350.31	Calculated Property
η	0.0021544	Pa×s	369.20	Calculated Property
η	0.0030041	Pa×s	388.09	Calculated Property
η	0.0040615	Pa×s	406.97	Calculated Property
η	0.0053462	Pa×s	425.86	Calculated Property
η	0.0068749	Pa×s	444.75	Calculated Property
η	0.0086615	Pa×s	463.63	Calculated Property
η	0.0107167	Pa×s	482.52	Calculated Property

Similar Compounds

Find more compounds similar to Pentacyclo[6.3.1.0(2,7).0(3,5).0(9,11)]dodecane.

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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