Chemical Properties of 3,5-Dimethyl-1,2-cyclopentanedione (CAS 13494-07-0)

InChI

InChI=1S/C7H10O2/c1-4-3-5(2)7(9)6(4)8/h4-5H,3H2,1-2H3

InChI Key

MIDXCONKKJTLDX-UHFFFAOYSA-N

Formula

C7H10O2

SMILES

CC1CC(C)C(=O)C1=O

Molecular Weight¹

126.15

CAS

13494-07-0

Other Names

• 1,2-Cyclopentanedione, 3,5-dimethyl-
• 3,5-dimethylcyclopentane-1,2-dione

• 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.
• 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
ΔfG°	-208.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-423.07	kJ/mol	Joback Calculated Property
ΔfusH°	7.91	kJ/mol	Joback Calculated Property
ΔvapH°	39.62	kJ/mol	Joback Calculated Property
log10WS	-0.72		Crippen Calculated Property
logPoct/wat	0.801		Crippen Calculated Property
McVol	101.770	ml/mol	McGowan Calculated Property
Pc	3572.80	kPa	Joback Calculated Property
Inp	1044.00		NIST
I	[1769.00; 1780.00]
I	1780.00		NIST
I	1769.00		NIST
Tboil	505.81	K	Joback Calculated Property
Tc	738.45	K	Joback Calculated Property
Tfus	311.75	K	Joback Calculated Property
Vc	0.382	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[232.74; 312.62]	J/mol×K	[505.81; 738.45]
Cp,gas	232.74	J/mol×K	505.81	Joback Calculated Property
Cp,gas	247.53	J/mol×K	544.58	Joback Calculated Property
Cp,gas	261.79	J/mol×K	583.36	Joback Calculated Property
Cp,gas	275.48	J/mol×K	622.13	Joback Calculated Property
Cp,gas	288.55	J/mol×K	660.90	Joback Calculated Property
Cp,gas	300.94	J/mol×K	699.67	Joback Calculated Property
Cp,gas	312.62	J/mol×K	738.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Dimethyl-1,2-cyclopentanedione.

Sources

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

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