Chemical Properties of Cyclopentanone, 2-methyl-3-(1-methylethyl)- (CAS 54549-81-4)

InChI

InChI=1S/C9H16O/c1-6(2)8-4-5-9(10)7(8)3/h6-8H,4-5H2,1-3H3

InChI Key

VWBCFESGRRREEF-UHFFFAOYSA-N

Formula

C9H16O

SMILES

CC(C)C1CCC(=O)C1C

Molecular Weight¹

140.22

CAS

54549-81-4

Other Names

• «beta»-Thujamenthone

• 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°	-71.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-331.93	kJ/mol	Joback Calculated Property
ΔfusH°	10.06	kJ/mol	Joback Calculated Property
ΔvapH°	39.44	kJ/mol	Joback Calculated Property
log10WS	-2.04		Crippen Calculated Property
logPoct/wat	2.258		Crippen Calculated Property
McVol	128.380	ml/mol	McGowan Calculated Property
Pc	2793.56	kPa	Joback Calculated Property
Inp	[1174.00; 1174.00]
Inp	1174.00		NIST
Inp	1174.00		NIST
Tboil	483.31	K	Joback Calculated Property
Tc	696.81	K	Joback Calculated Property
Tfus	251.07	K	Joback Calculated Property
Vc	0.480	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[292.27; 387.18]	J/mol×K	[483.31; 696.81]
Cp,gas	292.27	J/mol×K	483.31	Joback Calculated Property
Cp,gas	310.04	J/mol×K	518.89	Joback Calculated Property
Cp,gas	327.03	J/mol×K	554.48	Joback Calculated Property
Cp,gas	343.24	J/mol×K	590.06	Joback Calculated Property
Cp,gas	358.67	J/mol×K	625.64	Joback Calculated Property
Cp,gas	373.31	J/mol×K	661.23	Joback Calculated Property
Cp,gas	387.18	J/mol×K	696.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentanone, 2-methyl-3-(1-methylethyl)-.

Sources

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

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