Chemical Properties of Bicyclo[2.2.1]hept-2-ene,7-methoxy-syn-

InChI

InChI=1S/C8H12O/c1-9-8-6-2-3-7(8)5-4-6/h2-3,6-8H,4-5H2,1H3

InChI Key

RELKQDGGKGDNGY-UHFFFAOYSA-N

Formula

C8H12O

SMILES

COC1C2C=CC1CC2

Molecular Weight¹

124.18

• 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

Property	Value	Unit	Source
ΔfH°gas	-79.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.13	kJ/mol	Joback Calculated Property
IE	[8.84; 8.95]	eV
IE	8.95	eV	NIST
IE	8.84 ± 0.03	eV	NIST
logPoct/wat	1.597		Crippen Calculated Property
McVol	103.430	ml/mol	McGowan Calculated Property

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	[134.61; 387.17]	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			-7.07700e+01
Coefficient B			9.10320e-01
Coefficient C			-6.26280e-04
Coefficient D			1.73900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	134.61	J/mol×K	273.00	Calculated Property
Cp,gas	180.60	J/mol×K	353.78	Calculated Property
Cp,gas	220.82	J/mol×K	434.56	Calculated Property
Cp,gas	255.83	J/mol×K	515.33	Calculated Property
Cp,gas	286.17	J/mol×K	596.11	Calculated Property
Cp,gas	312.40	J/mol×K	676.89	Calculated Property
Cp,gas	335.06	J/mol×K	757.67	Calculated Property
Cp,gas	354.71	J/mol×K	838.44	Calculated Property
Cp,gas	371.90	J/mol×K	919.22	Calculated Property
Cp,gas	387.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004866; 0.0004635]	Pa×s	[231.03; 433.74]	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			-7.73224e+00
Coefficient B			2.40500e+01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			231.03
Temperature range, max.			433.74
η	0.0004866	Pa×s	231.03	Calculated Property
η	0.0004821	Pa×s	253.55	Calculated Property
η	0.0004784	Pa×s	276.08	Calculated Property
η	0.0004752	Pa×s	298.60	Calculated Property
η	0.0004726	Pa×s	321.12	Calculated Property
η	0.0004702	Pa×s	343.65	Calculated Property
η	0.0004682	Pa×s	366.17	Calculated Property
η	0.0004664	Pa×s	388.69	Calculated Property
η	0.0004649	Pa×s	411.22	Calculated Property
η	0.0004635	Pa×s	433.74	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]hept-2-ene,7-methoxy-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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