Chemical Properties of 2-chloro-2-cyano bicyclo[2.2.1]hept-5-ene, exo

InChI

InChI=1S/C8H8ClN/c9-8(5-10)4-6-1-2-7(8)3-6/h1-2,6-7H,3-4H2

InChI Key

UCYKNDOOVFKJKU-UHFFFAOYSA-N

Formula

C8H8ClN

SMILES

N#CC1(Cl)CC2C=CC1C2

Molecular Weight¹

153.61

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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
ΔfG°	263.89	kJ/mol	Joback Calculated Property
ΔfH°gas	132.81	kJ/mol	Joback Calculated Property
ΔfusH°	12.34	kJ/mol	Joback Calculated Property
ΔvapH°	47.09	kJ/mol	Joback Calculated Property
log10WS	-2.46		Crippen Calculated Property
logPoct/wat	2.084		Crippen Calculated Property
McVol	111.180	ml/mol	McGowan Calculated Property
Pc	3399.94	kPa	Joback Calculated Property
Inp	[1146.00; 1146.00]
Inp	1146.00		NIST
Inp	1146.00		NIST
Tboil	534.43	K	Joback Calculated Property
Tc	775.58	K	Joback Calculated Property
Tfus	327.61	K	Joback Calculated Property
Vc	0.448	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[249.83; 309.25]	J/mol×K	[534.43; 775.58]
Cp,gas	249.83	J/mol×K	534.43	Joback Calculated Property
Cp,gas	261.84	J/mol×K	574.62	Joback Calculated Property
Cp,gas	272.74	J/mol×K	614.81	Joback Calculated Property
Cp,gas	282.72	J/mol×K	655.00	Joback Calculated Property
Cp,gas	292.00	J/mol×K	695.20	Joback Calculated Property
Cp,gas	300.77	J/mol×K	735.39	Joback Calculated Property
Cp,gas	309.25	J/mol×K	775.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-chloro-2-cyano bicyclo[2.2.1]hept-5-ene, exo.

Sources

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

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