Chemical Properties of 5-(2,3-Dimethyltricyclo[2.2.1.02,6]heptan-3-yl)pentan-2-one (CAS 60843-83-6)

InChI

InChI=1S/C14H22O/c1-9(15)5-4-6-13(2)10-7-11-12(8-10)14(11,13)3/h10-12H,4-8H2,1-3H3

InChI Key

IBSHUAUUJQYONI-UHFFFAOYSA-N

Formula

C14H22O

SMILES

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

Molecular Weight¹

206.32

CAS

60843-83-6

• 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°	118.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-224.35	kJ/mol	Joback Calculated Property
ΔfusH°	21.77	kJ/mol	Joback Calculated Property
ΔvapH°	49.98	kJ/mol	Joback Calculated Property
log10WS	-3.44		Crippen Calculated Property
logPoct/wat	3.428		Crippen Calculated Property
McVol	177.110	ml/mol	McGowan Calculated Property
Pc	2193.84	kPa	Joback Calculated Property
Inp	[1522.50; 1522.50]
Inp	1522.50		NIST
Inp	1522.50		NIST
Tboil	576.41	K	Joback Calculated Property
Tc	780.91	K	Joback Calculated Property
Tfus	397.65	K	Joback Calculated Property
Vc	0.707	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[493.15; 588.74]	J/mol×K	[576.41; 780.91]
Cp,gas	493.15	J/mol×K	576.41	Joback Calculated Property
Cp,gas	511.25	J/mol×K	610.49	Joback Calculated Property
Cp,gas	528.15	J/mol×K	644.58	Joback Calculated Property
Cp,gas	544.10	J/mol×K	678.66	Joback Calculated Property
Cp,gas	559.36	J/mol×K	712.74	Joback Calculated Property
Cp,gas	574.15	J/mol×K	746.83	Joback Calculated Property
Cp,gas	588.74	J/mol×K	780.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-(2,3-Dimethyltricyclo[2.2.1.02,6]heptan-3-yl)pentan-2-one.

Sources

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

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