Chemical Properties of Bicyclo(2.2.1)heptan-2-ol, 2-methyl-, exo- (CAS 3212-15-5)

InChI

InChI=1S/C8H14O/c1-8(9)5-6-2-3-7(8)4-6/h6-7,9H,2-5H2,1H3/t6?,7?,8-/m1/s1

InChI Key

QBAQBGVSOIIKBF-KAVNDROISA-N

Formula

C8H14O

SMILES

CC1(O)CC2CCC1C2

Molecular Weight¹

126.20

CAS

3212-15-5

• ω : Acentric Factor.
• 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).
• 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.
• I : 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
ω	0.4874		Relay (1.0) Calculated Property
ΔfG°	-24.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-252.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.51	kJ/mol	Joback Calculated Property
ΔvapH°	57.79	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-1.97		Relay (1.0) Calculated Property
logPoct/wat	1.557		Crippen Calculated Property
McVol	107.730	ml/mol	McGowan Calculated Property
Pc	3920.94	kPa	Joback Calculated Property
Inp	[998.00; 998.00]
Inp	998.00		NIST
Inp	998.00		NIST
I	[1471.00; 1471.00]
I	1471.00		NIST
I	1471.00		NIST
Tboil	450.30	K	Relay (1.0) Calculated Property
Tc	690.16	K	Relay (1.0) Calculated Property
Tfus	332.00	K	Relay (1.0) Calculated Property
Vc	0.391	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[261.85; 335.18]	J/mol×K	[487.94; 686.54]
Cp,gas	261.85	J/mol×K	487.94	Joback Calculated Property
Cp,gas	276.32	J/mol×K	521.04	Joback Calculated Property
Cp,gas	289.73	J/mol×K	554.14	Joback Calculated Property
Cp,gas	302.21	J/mol×K	587.24	Joback Calculated Property
Cp,gas	313.87	J/mol×K	620.34	Joback Calculated Property
Cp,gas	324.82	J/mol×K	653.44	Joback Calculated Property
Cp,gas	335.18	J/mol×K	686.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo(2.2.1)heptan-2-ol, 2-methyl-, exo-.

Sources

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

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