Chemical Properties of Bicyclo[4.2.1]nona-2,4-dien-9-ol, syn- (CAS 64725-61-7)

InChI

InChI=1S/C9H12O/c10-9-7-3-1-2-4-8(9)6-5-7/h1-4,7-10H,5-6H2

InChI Key

LSLWFYJHUWPVQR-UHFFFAOYSA-N

Formula

C9H12O

SMILES

OC1C2C=CC=CC1CC2

Molecular Weight¹

136.19

CAS

64725-61-7

• 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).
• 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, Enthalpy of vaporization at standard conditions, 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	[136.66; 411.19]	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			-9.43500e+01
Coefficient B			1.02730e+00
Coefficient C			-7.16560e-04
Coefficient D			1.94800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	136.66	J/mol×K	273.00	Calculated Property
Cp,gas	188.03	J/mol×K	353.78	Calculated Property
Cp,gas	232.74	J/mol×K	434.56	Calculated Property
Cp,gas	271.42	J/mol×K	515.33	Calculated Property
Cp,gas	304.67	J/mol×K	596.11	Calculated Property
Cp,gas	333.12	J/mol×K	676.89	Calculated Property
Cp,gas	357.38	J/mol×K	757.67	Calculated Property
Cp,gas	378.07	J/mol×K	838.44	Calculated Property
Cp,gas	395.80	J/mol×K	919.22	Calculated Property
Cp,gas	411.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0106431; 0.0003502]	Pa×s	[274.61; 506.75]	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			-1.19959e+01
Coefficient B			2.04669e+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.			274.61
Temperature range, max.			506.75
η	0.0106431	Pa×s	274.61	Calculated Property
η	0.0056124	Pa×s	300.40	Calculated Property
η	0.0032748	Pa×s	326.20	Calculated Property
η	0.0020678	Pa×s	351.99	Calculated Property
η	0.0013902	Pa×s	377.78	Calculated Property
η	0.0009834	Pa×s	403.58	Calculated Property
η	0.0007251	Pa×s	429.37	Calculated Property
η	0.0005535	Pa×s	455.16	Calculated Property
η	0.0004349	Pa×s	480.96	Calculated Property
η	0.0003502	Pa×s	506.75	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[4.2.1]nona-2,4-dien-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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.