Chemical Properties of 2,2,4-trimethyl-5-cinnamoylcyclopent-4-ene-1,3-dione

InChI

InChI=1S/C17H16O3/c1-11-14(16(20)17(2,3)15(11)19)13(18)10-9-12-7-5-4-6-8-12/h4-10H,1-3H3/b10-9+

InChI Key

YXVCHJRCRWVPHK-MDZDMXLPSA-N

Formula

C17H16O3

SMILES

CC1=C(C(=O)C=Cc2ccccc2)C(=O)C(C)(C)C1=O

Molecular Weight¹

268.31

• 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°	-47.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-317.88	kJ/mol	Joback Calculated Property
ΔfusH°	22.73	kJ/mol	Joback Calculated Property
ΔvapH°	71.63	kJ/mol	Joback Calculated Property
log10WS	-3.41		Crippen Calculated Property
logPoct/wat	2.763		Crippen Calculated Property
McVol	211.880	ml/mol	McGowan Calculated Property
Pc	2261.11	kPa	Joback Calculated Property
Inp	[2385.00; 2385.00]
Inp	2385.00		NIST
Inp	2385.00		NIST
Tboil	833.35	K	Joback Calculated Property
Tc	1091.90	K	Joback Calculated Property
Tfus	549.66	K	Joback Calculated Property
Vc	0.804	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[624.39; 720.76]	J/mol×K	[833.35; 1091.90]
Cp,gas	624.39	J/mol×K	833.35	Joback Calculated Property
Cp,gas	641.60	J/mol×K	876.44	Joback Calculated Property
Cp,gas	658.14	J/mol×K	919.53	Joback Calculated Property
Cp,gas	674.18	J/mol×K	962.62	Joback Calculated Property
Cp,gas	689.85	J/mol×K	1005.71	Joback Calculated Property
Cp,gas	705.33	J/mol×K	1048.80	Joback Calculated Property
Cp,gas	720.76	J/mol×K	1091.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2,4-trimethyl-5-cinnamoylcyclopent-4-ene-1,3-dione.

Sources

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

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