Chemical Properties of Pentacyclo[6.3.1.13,6.02,7.09,11]tridecane

InChI

InChI=1S/C13H18/c1-2-7-3-6(1)12-10-5-11(13(7)12)9-4-8(9)10/h6-13H,1-5H2

InChI Key

KONJIGRBVREIQG-UHFFFAOYSA-N

Formula

C13H18

SMILES

C1CC2CC1C1C3CC(C4CC43)C21

Molecular Weight¹

174.29

Other Names

• Pentacyclo[6.3.1.1

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[180.63; 605.12]	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			-2.32080e+02
Coefficient B			1.93300e+00
Coefficient C			-1.71100e-03
Coefficient D			6.15200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.63	J/mol×K	273.00	Calculated Property
Cp,gas	264.87	J/mol×K	353.78	Calculated Property
Cp,gas	335.30	J/mol×K	434.56	Calculated Property
Cp,gas	393.87	J/mol×K	515.33	Calculated Property
Cp,gas	442.52	J/mol×K	596.11	Calculated Property
Cp,gas	483.20	J/mol×K	676.89	Calculated Property
Cp,gas	517.85	J/mol×K	757.67	Calculated Property
Cp,gas	548.43	J/mol×K	838.44	Calculated Property
Cp,gas	576.87	J/mol×K	919.22	Calculated Property
Cp,gas	605.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009709; 0.0121572]	Pa×s	[320.29; 504.84]	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			-2.32966e-02
Coefficient B			-2.21449e+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.			320.29
Temperature range, max.			504.84
η	0.0009709	Pa×s	320.29	Calculated Property
η	0.0014718	Pa×s	340.80	Calculated Property
η	0.0021281	Pa×s	361.30	Calculated Property
η	0.0029577	Pa×s	381.81	Calculated Property
η	0.0039751	Pa×s	402.31	Calculated Property
η	0.0051913	Pa×s	422.82	Calculated Property
η	0.0066143	Pa×s	443.32	Calculated Property
η	0.0082488	Pa×s	463.83	Calculated Property
η	0.0100967	Pa×s	484.33	Calculated Property
η	0.0121572	Pa×s	504.84	Calculated Property

Similar Compounds

Find more compounds similar to Pentacyclo[6.3.1.13,6.02,7.09,11]tridecane.

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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