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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4147		Relay (1.0) Calculated Property
ΔfG°	-19.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-427.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.79	kJ/mol	Joback Calculated Property
ΔvapH°	66.89	kJ/mol	Relay (1.0) Calculated Property
IE	8.45	eV	Relay (1.0) Calculated Property
log10WS	-3.05		Relay (1.0) 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	546.27	K	Relay (1.0) Calculated Property
Tc	802.69	K	Relay (1.0) Calculated Property
Tfus	416.63	K	Relay (1.0) Calculated Property
Vc	0.669	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.