Chemical Properties of Bicyclo[2.2.2]oct-5-en-2-ol-(1«alpha»,2«alpha»,4«alpha»)- (CAS 6688-07-9)

InChI

InChI=1S/C8H12O/c9-8-5-6-1-3-7(8)4-2-6/h1,3,6-9H,2,4-5H2/t6?,7?,8-/m0/s1

InChI Key

KEXYAVHJBNJUCG-RRQHEKLDSA-N

Formula

C8H12O

SMILES

OC1CC2C=CC1CC2

Molecular Weight¹

124.18

CAS

6688-07-9

• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 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	[126.81; 389.12]	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			-9.61000e+01
Coefficient B			9.97900e-01
Coefficient C			-7.21280e-04
Coefficient D			2.08600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	126.81	J/mol×K	273.00	Calculated Property
Cp,gas	175.90	J/mol×K	353.78	Calculated Property
Cp,gas	218.46	J/mol×K	434.56	Calculated Property
Cp,gas	255.15	J/mol×K	515.33	Calculated Property
Cp,gas	286.64	J/mol×K	596.11	Calculated Property
Cp,gas	313.59	J/mol×K	676.89	Calculated Property
Cp,gas	336.65	J/mol×K	757.67	Calculated Property
Cp,gas	356.48	J/mol×K	838.44	Calculated Property
Cp,gas	373.75	J/mol×K	919.22	Calculated Property
Cp,gas	389.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0101870; 0.0004577]	Pa×s	[266.10; 483.78]	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			-1.14822e+01
Coefficient B			1.83492e+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.			266.10
Temperature range, max.			483.78
η	0.0101870	Pa×s	266.10	Calculated Property
η	0.0057349	Pa×s	290.29	Calculated Property
η	0.0035268	Pa×s	314.47	Calculated Property
η	0.0023249	Pa×s	338.66	Calculated Property
η	0.0016201	Pa×s	362.85	Calculated Property
η	0.0011811	Pa×s	387.03	Calculated Property
η	0.0008937	Pa×s	411.22	Calculated Property
η	0.0006975	Pa×s	435.41	Calculated Property
η	0.0005588	Pa×s	459.60	Calculated Property
η	0.0004577	Pa×s	483.78	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.2]oct-5-en-2-ol-(1«alpha»,2«alpha»,4«alpha»)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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