Chemical Properties of Bicyclo[2.2.1]heptane, 2-methoxy-1,7,7-trimethyl- (CAS 4443-51-0)

InChI

InChI=1S/C11H20O/c1-10(2)8-5-6-11(10,3)9(7-8)12-4/h8-9H,5-7H2,1-4H3

InChI Key

ZRHVOKYSOWTPIG-UHFFFAOYSA-N

Formula

C11H20O

SMILES

COC1CC2CCC1(C)C2(C)C

Molecular Weight¹

168.28

CAS

4443-51-0

Other Names

• 2-Methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane

• 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°	19.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-273.35	kJ/mol	Joback Calculated Property
ΔfusH°	9.15	kJ/mol	Joback Calculated Property
ΔvapH°	39.57	kJ/mol	Joback Calculated Property
log10WS	-2.69		Crippen Calculated Property
logPoct/wat	2.848		Crippen Calculated Property
McVol	150.000	ml/mol	McGowan Calculated Property
Pc	2545.61	kPa	Joback Calculated Property
Inp	[1116.60; 1116.60]
Inp	1116.60		NIST
Inp	1116.60		NIST
Tboil	482.39	K	Joback Calculated Property
Tc	692.35	K	Joback Calculated Property
Tfus	307.64	K	Joback Calculated Property
Vc	0.570	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[362.31; 464.95]	J/mol×K	[482.39; 692.35]
Cp,gas	362.31	J/mol×K	482.39	Joback Calculated Property
Cp,gas	382.50	J/mol×K	517.38	Joback Calculated Property
Cp,gas	401.19	J/mol×K	552.38	Joback Calculated Property
Cp,gas	418.58	J/mol×K	587.37	Joback Calculated Property
Cp,gas	434.87	J/mol×K	622.36	Joback Calculated Property
Cp,gas	450.26	J/mol×K	657.36	Joback Calculated Property
Cp,gas	464.95	J/mol×K	692.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]heptane, 2-methoxy-1,7,7-trimethyl-.

Sources

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

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