Chemical Properties of 1,2,4-Cyclopentanetrione, 3,3-bis(3-methyl-2-butenyl)-5-(2-methyl-1-oxopropyl)- (CAS 1891-34-5)

InChI

InChI=1S/C19H26O4/c1-11(2)7-9-19(10-8-12(3)4)17(22)14(15(20)13(5)6)16(21)18(19)23/h7-8,13-14H,9-10H2,1-6H3

InChI Key

HMEGPOIWNGKXBR-UHFFFAOYSA-N

Formula

C19H26O4

SMILES

CC(C)=CCC1(CC=C(C)C)C(=O)C(=O)C(C(=O)C(C)C)C1=O

Molecular Weight¹

318.41

CAS

1891-34-5

Other Names

• 1,2,4-Cyclopentanetrione, 5-isobutyryl-3,3-bis(3-methyl-2-butenyl)-
• Cohulupone
• Cohulupon

• 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°	-223.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-696.21	kJ/mol	Joback Calculated Property
ΔfusH°	28.06	kJ/mol	Joback Calculated Property
ΔvapH°	75.86	kJ/mol	Joback Calculated Property
log10WS	-3.77		Crippen Calculated Property
logPoct/wat	3.248		Crippen Calculated Property
McVol	265.390	ml/mol	McGowan Calculated Property
Pc	1525.88	kPa	Joback Calculated Property
Inp	[2053.00; 2105.00]
Inp	2053.00		NIST
Inp	2105.00		NIST
Tboil	909.94	K	Joback Calculated Property
Tc	1147.74	K	Joback Calculated Property
Tfus	535.96	K	Joback Calculated Property
Vc	1.020	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[878.44; 986.60]	J/mol×K	[909.94; 1147.74]
Cp,gas	878.44	J/mol×K	909.94	Joback Calculated Property
Cp,gas	898.16	J/mol×K	949.57	Joback Calculated Property
Cp,gas	917.06	J/mol×K	989.21	Joback Calculated Property
Cp,gas	935.25	J/mol×K	1028.84	Joback Calculated Property
Cp,gas	952.84	J/mol×K	1068.47	Joback Calculated Property
Cp,gas	969.92	J/mol×K	1108.10	Joback Calculated Property
Cp,gas	986.60	J/mol×K	1147.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4-Cyclopentanetrione, 3,3-bis(3-methyl-2-butenyl)-5-(2-methyl-1-oxopropyl)-.

Sources

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

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