Chemical Properties of 2,2,4,4-tetramethylcyclopentane-1,3-dione

InChI

InChI=1S/C9H14O2/c1-8(2)5-6(10)9(3,4)7(8)11/h5H2,1-4H3

InChI Key

UJWKZMAOPDRNBM-UHFFFAOYSA-N

Formula

C9H14O2

SMILES

CC1(C)CC(=O)C(C)(C)C1=O

Molecular Weight¹

154.21

• 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.
• I : 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	0.3690		Relay (... Calculated Property
ΔfG°	-202.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-364.81	kJ/mol	Relay (... Calculated Property
ΔfusH°	0.50	kJ/mol	Joback Calculated Property
ΔvapH°	48.14	kJ/mol	Relay (... Calculated Property
IE	8.84	eV	Relay (... Calculated Property
log10WS	-1.49		Relay (... Calculated Property
logPoct/wat	1.581		Crippen Calculated Property
McVol	129.950	ml/mol	McGowan Calculated Property
Pc	3173.97	kPa	Joback Calculated Property
Inp	[1163.00; 1163.00]
Inp	1163.00		NIST
Inp	1163.00		NIST
I	2133.00		NIST
Tboil	454.77	K	Relay (... Calculated Property
Tc	672.63	K	Relay (... Calculated Property
Tfus	410.02	K	Relay (... Calculated Property
Vc	0.459	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[322.21; 411.36]	J/mol×K	[552.05; 795.83]
Cp,gas	322.21	J/mol×K	552.05	Joback Calculated Property
Cp,gas	338.62	J/mol×K	592.68	Joback Calculated Property
Cp,gas	354.16	J/mol×K	633.31	Joback Calculated Property
Cp,gas	369.01	J/mol×K	673.94	Joback Calculated Property
Cp,gas	383.37	J/mol×K	714.57	Joback Calculated Property
Cp,gas	397.42	J/mol×K	755.20	Joback Calculated Property
Cp,gas	411.36	J/mol×K	795.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2,4,4-tetramethylcyclopentane-1,3-dione.

Sources

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

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