Chemical Properties of 2-Cyclopenten-1-one, 3,5,5-trimethyl- (CAS 24156-95-4)

InChI

InChI=1S/C8H12O/c1-6-4-7(9)8(2,3)5-6/h4H,5H2,1-3H3

InChI Key

AVXVDNJFGZNVAB-UHFFFAOYSA-N

Formula

C8H12O

SMILES

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

Molecular Weight¹

124.18

CAS

24156-95-4

Other Names

• 3,5,5-Trimethyl-2-cyclopenten-1-one
• 3,5,5-Trimethyl-2-cyclopentenone
• 3,5,5-Trimethyl-cyclopent-2-en-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 : 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°	-54.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-224.12	kJ/mol	Joback Calculated Property
ΔfusH°	4.46	kJ/mol	Joback Calculated Property
ΔvapH°	37.71	kJ/mol	Joback Calculated Property
log10WS	-1.96		Crippen Calculated Property
logPoct/wat	1.932		Crippen Calculated Property
McVol	109.990	ml/mol	McGowan Calculated Property
Pc	3439.94	kPa	Joback Calculated Property
I	[1617.00; 1644.00]
I	1617.00		NIST
I	1617.00		NIST
I	1644.00		NIST
I	1644.00		NIST
Tboil	469.92	K	Joback Calculated Property
Tc	695.04	K	Joback Calculated Property
Tfus	296.22	K	Joback Calculated Property
Vc	0.415	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.07; 307.19]	J/mol×K	[469.92; 695.04]
Cp,gas	233.07	J/mol×K	469.92	Joback Calculated Property
Cp,gas	247.29	J/mol×K	507.44	Joback Calculated Property
Cp,gas	260.65	J/mol×K	544.96	Joback Calculated Property
Cp,gas	273.23	J/mol×K	582.48	Joback Calculated Property
Cp,gas	285.12	J/mol×K	620.00	Joback Calculated Property
Cp,gas	296.41	J/mol×K	657.52	Joback Calculated Property
Cp,gas	307.19	J/mol×K	695.04	Joback Calculated Property

Similar Compounds

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

Sources

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

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