Chemical Properties of Bicyclo[4.2.1]non-3-en-9-ol, syn- (CAS 64725-59-3)

InChI

InChI=1S/C9H14O/c10-9-7-3-1-2-4-8(9)6-5-7/h1-2,7-10H,3-6H2

InChI Key

KHYZIYIOGSVEHF-UHFFFAOYSA-N

Formula

C9H14O

SMILES

OC1C2CC=CCC1CC2

Molecular Weight¹

138.21

CAS

64725-59-3

• 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_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	[143.14; 442.49]	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			-1.02130e+02
Coefficient B			1.08330e+00
Coefficient C			-7.29280e-04
Coefficient D			1.90600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	143.14	J/mol×K	273.00	Calculated Property
Cp,gas	198.28	J/mol×K	353.78	Calculated Property
Cp,gas	246.55	J/mol×K	434.56	Calculated Property
Cp,gas	288.54	J/mol×K	515.33	Calculated Property
Cp,gas	324.86	J/mol×K	596.11	Calculated Property
Cp,gas	356.12	J/mol×K	676.89	Calculated Property
Cp,gas	382.90	J/mol×K	757.67	Calculated Property
Cp,gas	405.82	J/mol×K	838.44	Calculated Property
Cp,gas	425.49	J/mol×K	919.22	Calculated Property
Cp,gas	442.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0129096; 0.0003567]	Pa×s	[273.85; 505.95]	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			-1.21732e+01
Coefficient B			2.14245e+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.			273.85
Temperature range, max.			505.95
η	0.0129096	Pa×s	273.85	Calculated Property
η	0.0065839	Pa×s	299.64	Calculated Property
η	0.0037359	Pa×s	325.43	Calculated Property
η	0.0023039	Pa×s	351.22	Calculated Property
η	0.0015179	Pa×s	377.01	Calculated Property
η	0.0010549	Pa×s	402.80	Calculated Property
η	0.0007660	Pa×s	428.59	Calculated Property
η	0.0005768	Pa×s	454.38	Calculated Property
η	0.0004477	Pa×s	480.17	Calculated Property
η	0.0003567	Pa×s	505.95	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[4.2.1]non-3-en-9-ol, syn-.

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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