Chemical Properties of Bicyclo[2.2.1]hept-2-ene, 2-methyl- (CAS 694-92-8)

InChI

InChI=1S/C8H12/c1-6-4-7-2-3-8(6)5-7/h4,7-8H,2-3,5H2,1H3

InChI Key

HTENSGOZPYEMCG-UHFFFAOYSA-N

Formula

C8H12

SMILES

CC1=CC2CCC1C2

Molecular Weight¹

108.18

CAS

694-92-8

Other Names

• 2-Norbornene, 2-methyl-
• 2-Methyl-2-norbornene
• 2-Methylbicyclo[2.2.1]hept-2-ene
• 2-Methylnorbornene
• 2-Methylbicyclo(2.2.1)heptene

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_liquid : Liquid phase 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	845.00	kJ/mol	NIST
BasG	812.50	kJ/mol	NIST
ΔcH°liquid	-4867.50 ± 1.70	kJ/mol	NIST
ΔfH°liquid	4.40 ± 1.80	kJ/mol	NIST
ΔfusH°	11.48	kJ/mol	Joback Calculated Property
IE	[8.10; 8.50]	eV
IE	8.10	eV	NIST
IE	8.50	eV	NIST
logPoct/wat	2.363		Crippen Calculated Property
McVol	97.560	ml/mol	McGowan Calculated Property
Inp	[1097.00; 1097.00]
Inp	1097.00		NIST
Inp	1097.00		NIST
Tboil	391.00 ± 2.00	K	NIST

Cheméo can also estimate 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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[189.08; 268.25]	J/mol×K	[404.33; 609.36]
Cp,gas	189.08	J/mol×K	404.33	Joback Calculated Property
Cp,gas	204.54	J/mol×K	438.50	Joback Calculated Property
Cp,gas	219.03	J/mol×K	472.67	Joback Calculated Property
Cp,gas	232.58	J/mol×K	506.84	Joback Calculated Property
Cp,gas	245.27	J/mol×K	541.02	Joback Calculated Property
Cp,gas	257.14	J/mol×K	575.19	Joback Calculated Property
Cp,gas	268.25	J/mol×K	609.36	Joback Calculated Property
η	[0.0004639; 0.0005626]	Pa×s	[225.56; 404.33]
η	0.0005626	Pa×s	225.56	Joback Calculated Property
η	0.0005347	Pa×s	255.35	Joback Calculated Property
η	0.0005136	Pa×s	285.15	Joback Calculated Property
η	0.0004971	Pa×s	314.94	Joback Calculated Property
η	0.0004838	Pa×s	344.74	Joback Calculated Property
η	0.0004730	Pa×s	374.53	Joback Calculated Property
η	0.0004639	Pa×s	404.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]hept-2-ene, 2-methyl-.

Sources

• 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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