Chemical Properties of Adamantan-4-one, 1-chloro

InChI

InChI=1S/C10H13ClO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-8H,1-5H2

InChI Key

JPEOUSFBWXVGFX-UHFFFAOYSA-N

Formula

C10H13ClO

SMILES

O=C1C2CC3CC1CC(Cl)(C3)C2

Molecular Weight¹

184.66

• 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°	55.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-196.03	kJ/mol	Joback Calculated Property
ΔfusH°	12.44	kJ/mol	Joback Calculated Property
ΔvapH°	44.94	kJ/mol	Joback Calculated Property
log10WS	-2.51		Crippen Calculated Property
logPoct/wat	2.373		Crippen Calculated Property
McVol	132.990	ml/mol	McGowan Calculated Property
Pc	3254.14	kPa	Joback Calculated Property
Inp	[1483.00; 1483.00]
Inp	1483.00		NIST
Inp	1483.00		NIST
Tboil	553.51	K	Joback Calculated Property
Tc	799.48	K	Joback Calculated Property
Tfus	370.56	K	Joback Calculated Property
Vc	0.511	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[340.53; 432.67]	J/mol×K	[553.51; 799.48]
Cp,gas	340.53	J/mol×K	553.51	Joback Calculated Property
Cp,gas	358.68	J/mol×K	594.50	Joback Calculated Property
Cp,gas	375.42	J/mol×K	635.50	Joback Calculated Property
Cp,gas	390.97	J/mol×K	676.49	Joback Calculated Property
Cp,gas	405.54	J/mol×K	717.49	Joback Calculated Property
Cp,gas	419.37	J/mol×K	758.48	Joback Calculated Property
Cp,gas	432.67	J/mol×K	799.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to Adamantan-4-one, 1-chloro.

Sources

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

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