Chemical Properties of 2-Cyclopenten-1-one, 3,4,5-trimethyl- (CAS 55683-21-1)

InChI

InChI=1S/C8H12O/c1-5-4-8(9)7(3)6(5)2/h4,6-7H,1-3H3

InChI Key

LPBXNOSWWUFYQN-UHFFFAOYSA-N

Formula

C8H12O

SMILES

CC1=CC(=O)C(C)C1C

Molecular Weight¹

124.18

CAS

55683-21-1

Other Names

• 3,4,5-Trimethyl-2-cyclopenten-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.
• 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°	-56.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-259.70	kJ/mol	Joback Calculated Property
ΔfusH°	11.82	kJ/mol	Joback Calculated Property
ΔvapH°	38.55	kJ/mol	Joback Calculated Property
log10WS	-1.72		Crippen Calculated Property
logPoct/wat	1.788		Crippen Calculated Property
McVol	109.990	ml/mol	McGowan Calculated Property
Pc	3145.56	kPa	Joback Calculated Property
Inp	[1063.00; 1063.00]
Inp	1063.00		NIST
Inp	1063.00		NIST
I	1483.00		NIST
Tboil	465.01	K	Joback Calculated Property
Tc	680.18	K	Joback Calculated Property
Tfus	268.08	K	Joback Calculated Property
Vc	0.416	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.35; 311.72]	J/mol×K	[465.01; 680.18]
Cp,gas	233.35	J/mol×K	465.01	Joback Calculated Property
Cp,gas	247.85	J/mol×K	500.87	Joback Calculated Property
Cp,gas	261.78	J/mol×K	536.73	Joback Calculated Property
Cp,gas	275.15	J/mol×K	572.60	Joback Calculated Property
Cp,gas	287.93	J/mol×K	608.46	Joback Calculated Property
Cp,gas	300.13	J/mol×K	644.32	Joback Calculated Property
Cp,gas	311.72	J/mol×K	680.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Cyclopenten-1-one, 3,4,5-trimethyl-.

Sources

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

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