Chemical Properties of 1,2,3,3A,4,5,5A,6,7,8-DECAHYDROPYRENE

InChI

InChI=1S/C16H20/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h7,9,12,14H,1-6,8,10H2

InChI Key

MNXFZXVRYXNOBW-UHFFFAOYSA-N

Formula

C16H20

SMILES

c1cc2c3c4c1CCCC4CCC3CCC2

Molecular Weight¹

212.34

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[217.81; 651.47]	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			-1.64450e+02
Coefficient B			1.73600e+00
Coefficient C			-1.34628e-03
Coefficient D			4.26200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	217.81	J/mol×K	273.00	Calculated Property
Cp,gas	300.08	J/mol×K	353.78	Calculated Property
Cp,gas	370.68	J/mol×K	434.56	Calculated Property
Cp,gas	430.97	J/mol×K	515.33	Calculated Property
Cp,gas	482.28	J/mol×K	596.11	Calculated Property
Cp,gas	525.97	J/mol×K	676.89	Calculated Property
Cp,gas	563.39	J/mol×K	757.67	Calculated Property
Cp,gas	595.88	J/mol×K	838.44	Calculated Property
Cp,gas	624.79	J/mol×K	919.22	Calculated Property
Cp,gas	651.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027078; 0.0015183]	Pa×s	[388.60; 615.29]	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			-7.48183e+00
Coefficient B			6.10180e+02
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.			388.60
Temperature range, max.			615.29
η	0.0027078	Pa×s	388.60	Calculated Property
η	0.0024609	Pa×s	413.79	Calculated Property
η	0.0022613	Pa×s	438.98	Calculated Property
η	0.0020970	Pa×s	464.16	Calculated Property
η	0.0019598	Pa×s	489.35	Calculated Property
η	0.0018438	Pa×s	514.54	Calculated Property
η	0.0017445	Pa×s	539.73	Calculated Property
η	0.0016587	Pa×s	564.91	Calculated Property
η	0.0015840	Pa×s	590.10	Calculated Property
η	0.0015183	Pa×s	615.29	Calculated Property

Similar Compounds

Find more compounds similar to 1,2,3,3A,4,5,5A,6,7,8-DECAHYDROPYRENE.

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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