Chemical Properties of 2-Cyclopenten-1-one, 2-hydroxy-3-(1-methylethyl) (CAS 55277-47-9)

InChI

InChI=1S/C8H12O2/c1-5(2)6-3-4-7(9)8(6)10/h5,10H,3-4H2,1-2H3

InChI Key

CMDYRLLHBMXTEA-UHFFFAOYSA-N

Formula

C8H12O2

SMILES

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

Molecular Weight¹

140.18

CAS

55277-47-9

Other Names

• 2-Hydroxy-3-isopropyl-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°	-190.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-388.00	kJ/mol	Joback Calculated Property
ΔfusH°	9.86	kJ/mol	Joback Calculated Property
ΔvapH°	56.12	kJ/mol	Joback Calculated Property
log10WS	-1.78		Crippen Calculated Property
logPoct/wat	1.817		Crippen Calculated Property
McVol	115.860	ml/mol	McGowan Calculated Property
Pc	3754.57	kPa	Joback Calculated Property
Inp	[1158.00; 1158.00]
Inp	1158.00		NIST
Inp	1158.00		NIST
Inp	1158.00		NIST
I	[1835.00; 1835.00]
I	1835.00		NIST
I	1835.00		NIST
I	1835.00		NIST
Tboil	571.07	K	Joback Calculated Property
Tc	777.44	K	Joback Calculated Property
Tfus	334.90	K	Joback Calculated Property
Vc	0.431	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[282.05; 344.45]	J/mol×K	[571.07; 777.44]
Cp,gas	282.05	J/mol×K	571.07	Joback Calculated Property
Cp,gas	293.83	J/mol×K	605.46	Joback Calculated Property
Cp,gas	305.05	J/mol×K	639.86	Joback Calculated Property
Cp,gas	315.72	J/mol×K	674.25	Joback Calculated Property
Cp,gas	325.85	J/mol×K	708.65	Joback Calculated Property
Cp,gas	335.42	J/mol×K	743.04	Joback Calculated Property
Cp,gas	344.45	J/mol×K	777.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Cyclopenten-1-one, 2-hydroxy-3-(1-methylethyl).

Sources

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

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