Chemical Properties of (Z)-6-(2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-yl)-3-methylhex-3-en-2-one

InChI

InChI=1S/C16H24O/c1-10(11(2)17)6-5-7-15(3)12-8-13-14(9-12)16(13,15)4/h6,12-14H,5,7-9H2,1-4H3/b10-6-

InChI Key

AJAXBERBECDKTL-POHAHGRESA-N

Formula

C16H24O

SMILES

CC(=O)C(C)=CCCC1(C)C2CC3C(C2)C31C

Molecular Weight¹

232.36

• 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°	206.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-158.20	kJ/mol	Joback Calculated Property
ΔfusH°	25.84	kJ/mol	Joback Calculated Property
ΔvapH°	54.47	kJ/mol	Joback Calculated Property
log10WS	-4.13		Crippen Calculated Property
logPoct/wat	3.984		Crippen Calculated Property
McVol	200.990	ml/mol	McGowan Calculated Property
Pc	1940.65	kPa	Joback Calculated Property
Inp	[1854.20; 1854.20]
Inp	1854.20		NIST
Inp	1854.20		NIST
Tboil	626.21	K	Joback Calculated Property
Tc	836.24	K	Joback Calculated Property
Tfus	401.15	K	Joback Calculated Property
Vc	0.799	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[576.44; 678.88]	J/mol×K	[626.21; 836.24]
Cp,gas	576.44	J/mol×K	626.21	Joback Calculated Property
Cp,gas	595.05	J/mol×K	661.21	Joback Calculated Property
Cp,gas	612.66	J/mol×K	696.22	Joback Calculated Property
Cp,gas	629.56	J/mol×K	731.22	Joback Calculated Property
Cp,gas	646.04	J/mol×K	766.23	Joback Calculated Property
Cp,gas	662.38	J/mol×K	801.23	Joback Calculated Property
Cp,gas	678.88	J/mol×K	836.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-6-(2,3-dimethyltricyclo[2.2.1.02,6]heptan-3-yl)-3-methylhex-3-en-2-one.

Sources

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

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