Chemical Properties of Desoxycohumulone

InChI

InChI=1S/C20H28O4/c1-11(2)7-9-14-18(22)15(10-8-12(3)4)20(24)16(19(14)23)17(21)13(5)6/h7-8,13,22-24H,9-10H2,1-6H3

InChI Key

KKFIZYKKQLWBKH-UHFFFAOYSA-N

Formula

C20H28O4

SMILES

CC(C)=CCc1c(O)c(CC=C(C)C)c(O)c(C(=O)C(C)C)c1O

Molecular Weight¹

332.43

• 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°	-241.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-677.47	kJ/mol	Joback Calculated Property
ΔfusH°	54.03	kJ/mol	Joback Calculated Property
ΔvapH°	109.19	kJ/mol	Joback Calculated Property
log10WS	-5.20		Crippen Calculated Property
logPoct/wat	4.660		Crippen Calculated Property
McVol	279.480	ml/mol	McGowan Calculated Property
Pc	2056.76	kPa	Joback Calculated Property
Inp	[2317.00; 2317.00]
Inp	2317.00		NIST
Inp	2317.00		NIST
Tboil	997.01	K	Joback Calculated Property
Tc	1235.35	K	Joback Calculated Property
Tfus	698.63	K	Joback Calculated Property
Vc	0.907	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[920.20; 1055.11]	J/mol×K	[997.01; 1235.35]
Cp,gas	920.20	J/mol×K	997.01	Joback Calculated Property
Cp,gas	939.76	J/mol×K	1036.73	Joback Calculated Property
Cp,gas	960.15	J/mol×K	1076.46	Joback Calculated Property
Cp,gas	981.61	J/mol×K	1116.18	Joback Calculated Property
Cp,gas	1004.42	J/mol×K	1155.91	Joback Calculated Property
Cp,gas	1028.84	J/mol×K	1195.63	Joback Calculated Property
Cp,gas	1055.11	J/mol×K	1235.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Desoxycohumulone.

Sources

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

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