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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• 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
ΔfG°	146.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-22.70	kJ/mol	Joback Calculated Property
ΔfH°liquid	4.40 ± 1.80	kJ/mol	NIST
ΔfusH°	11.48	kJ/mol	Joback Calculated Property
ΔvapH°	34.35	kJ/mol	Joback Calculated Property
IE	[8.10; 8.50]	eV
IE	8.10	eV	NIST
IE	8.50	eV	NIST
log10WS	-2.33		Crippen Calculated Property
logPoct/wat	2.363		Crippen Calculated Property
McVol	97.560	ml/mol	McGowan Calculated Property
Pc	3543.08	kPa	Joback Calculated Property
Inp	[1097.00; 1097.00]
Inp	1097.00		NIST
Inp	1097.00		NIST
Tboil	391.00 ± 2.00	K	NIST
Tc	609.36	K	Joback Calculated Property
Tfus	225.56	K	Joback Calculated Property
Vc	0.376	m3/kmol	Joback Calculated Property

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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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