Chemical Properties of Bicyclo[2.2.1]heptan-3-one, 1,4,7-trimethyl

InChI

InChI=1S/C10H16O/c1-7-9(2)4-5-10(7,3)8(11)6-9/h7H,4-6H2,1-3H3

InChI Key

XWDFUXPMQMTMTC-UHFFFAOYSA-N

Formula

C10H16O

SMILES

CC1C2(C)CCC1(C)C(=O)C2

Molecular Weight¹

152.23

• 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.
• 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	0.3521		Relay (... Calculated Property
ΔfG°	1.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-209.53	kJ/mol	Relay (... Calculated Property
ΔfusH°	3.81	kJ/mol	Joback Calculated Property
ΔvapH°	51.58	kJ/mol	Relay (... Calculated Property
IE	8.86	eV	Relay (... Calculated Property
log10WS	-2.41		Relay (... Calculated Property
logPoct/wat	2.402		Crippen Calculated Property
McVol	131.610	ml/mol	McGowan Calculated Property
Pc	3082.99	kPa	Joback Calculated Property
Inp	[1126.00; 1126.00]
Inp	1126.00		NIST
Inp	1126.00		NIST
Tboil	462.71	K	Relay (... Calculated Property
Tc	712.30	K	Relay (... Calculated Property
Tfus	382.82	K	Relay (... Calculated Property
Vc	0.455	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[324.29; 417.76]	J/mol×K	[509.58; 742.46]
Cp,gas	324.29	J/mol×K	509.58	Joback Calculated Property
Cp,gas	342.61	J/mol×K	548.39	Joback Calculated Property
Cp,gas	359.48	J/mol×K	587.21	Joback Calculated Property
Cp,gas	375.18	J/mol×K	626.02	Joback Calculated Property
Cp,gas	389.96	J/mol×K	664.83	Joback Calculated Property
Cp,gas	404.06	J/mol×K	703.65	Joback Calculated Property
Cp,gas	417.76	J/mol×K	742.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]heptan-3-one, 1,4,7-trimethyl.

Sources

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

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