Chemical Properties of 2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-pentenyl)- (CAS 25522-96-7)

InChI

InChI=1S/C21H30O5/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4/h7-8,14-15,25-26H,9-11H2,1-6H3

InChI Key

QARXXMMQVDCYGZ-UHFFFAOYSA-N

Formula

C21H30O5

SMILES

CC(C)=CCC(=O)C1(O)C(O)=C(C(=O)CC(C)C)C(=O)C1CC=C(C)C

Molecular Weight¹

362.46

CAS

25522-96-7

Other Names

• 3-Penten-1-one, 1-[1,2-dihydroxy-3-isovaleryl-5-(3-methyl-2-butenyl)-4-oxo-2-cyclopenten-1-yl]-4-methyl-
• Isohumulone
• trans-Isohumulone
• 3,4-dihydroxy-5-(3-methylbut-2-enyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxopent-3-enyl)cyclopent-2-en-1-one

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1050.52; 1182.33]	J/mol×K	[1067.41; 1307.58]
Cp,gas	1050.52	J/mol×K	1067.41	Joback Calculated Property
Cp,gas	1071.12	J/mol×K	1107.44	Joback Calculated Property
Cp,gas	1092.01	J/mol×K	1147.47	Joback Calculated Property
Cp,gas	1113.39	J/mol×K	1187.50	Joback Calculated Property
Cp,gas	1135.45	J/mol×K	1227.53	Joback Calculated Property
Cp,gas	1158.36	J/mol×K	1267.56	Joback Calculated Property
Cp,gas	1182.33	J/mol×K	1307.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Cyclopenten-1-one, 3,4-dihydroxy-5-(3-methyl-2-butenyl)-2-(3-methyl-1-oxobutyl)-4-(4-methyl-1-oxo-3-pentenyl)-.

Sources

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

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