Chemical Properties of 4-(1-Hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)-pent-3-en-2-one (CAS 125284-20-0)

InChI

InChI=1S/C14H22O3/c1-10-7-6-8-13(4,5)14(10,17-16)11(2)9-12(3)15/h9,16H,1,6-8H2,2-5H3/b11-9+

InChI Key

ABKYIBLLJAHNQO-PKNBQFBNSA-N

Formula

C14H22O3

SMILES

C=C1CCCC(C)(C)C1(OO)C(C)=CC(C)=O

Molecular Weight¹

238.32

CAS

125284-20-0

• 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°	-173.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-473.19	kJ/mol	Joback Calculated Property
ΔfusH°	16.93	kJ/mol	Joback Calculated Property
ΔvapH°	70.61	kJ/mol	Joback Calculated Property
log10WS	-3.84		Crippen Calculated Property
logPoct/wat	3.516		Crippen Calculated Property
McVol	201.970	ml/mol	McGowan Calculated Property
Pc	2298.11	kPa	Joback Calculated Property
Inp	[1477.00; 1477.00]
Inp	1477.00		NIST
Inp	1477.00		NIST
Tboil	706.75	K	Joback Calculated Property
Tc	913.95	K	Joback Calculated Property
Tfus	426.10	K	Joback Calculated Property
Vc	0.755	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[576.64; 669.94]	J/mol×K	[706.75; 913.95]
Cp,gas	576.64	J/mol×K	706.75	Joback Calculated Property
Cp,gas	592.62	J/mol×K	741.28	Joback Calculated Property
Cp,gas	608.20	J/mol×K	775.82	Joback Calculated Property
Cp,gas	623.55	J/mol×K	810.35	Joback Calculated Property
Cp,gas	638.84	J/mol×K	844.88	Joback Calculated Property
Cp,gas	654.24	J/mol×K	879.42	Joback Calculated Property
Cp,gas	669.94	J/mol×K	913.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(1-Hydroperoxy-2,2-dimethyl-6-methylene-cyclohexyl)-pent-3-en-2-one.

Sources

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

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