Chemical Properties of Norketoagarofuran

InChI

InChI=1S/C14H22O2/c1-12(2)10-6-8-13(3)7-4-5-11(15)14(13,9-10)16-12/h10H,4-9H2,1-3H3/t10-,13+,14+/m0/s1

InChI Key

GZGANJGCMJYOEK-ZLKJLUDKSA-N

Formula

C14H22O2

SMILES

CC1(C)OC23CC1CCC2(C)CCCC3=O

Molecular Weight¹

222.32

• 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°	-19.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-376.69	kJ/mol	Joback Calculated Property
ΔfusH°	9.79	kJ/mol	Joback Calculated Property
ΔvapH°	52.01	kJ/mol	Joback Calculated Property
log10WS	-3.47		Crippen Calculated Property
logPoct/wat	3.093		Crippen Calculated Property
McVol	182.980	ml/mol	McGowan Calculated Property
Pc	2579.34	kPa	Joback Calculated Property
Inp	[1555.00; 1556.00]
Inp	1556.00		NIST
Inp	1555.00		NIST
Inp	1555.00		NIST
Inp	1556.00		NIST
Tboil	643.57	K	Joback Calculated Property
Tc	898.60	K	Joback Calculated Property
Tfus	453.05	K	Joback Calculated Property
Vc	0.688	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[543.02; 672.23]	J/mol×K	[643.57; 898.60]
Cp,gas	543.02	J/mol×K	643.57	Joback Calculated Property
Cp,gas	565.23	J/mol×K	686.08	Joback Calculated Property
Cp,gas	586.50	J/mol×K	728.58	Joback Calculated Property
Cp,gas	607.32	J/mol×K	771.09	Joback Calculated Property
Cp,gas	628.21	J/mol×K	813.59	Joback Calculated Property
Cp,gas	649.68	J/mol×K	856.10	Joback Calculated Property
Cp,gas	672.23	J/mol×K	898.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Norketoagarofuran.

Sources

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

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