Chemical Properties of 2-Hydroxy-3-propyl-2-cyclopenten-1-one (CAS 25684-04-2)

InChI

InChI=1S/C8H12O2/c1-2-3-6-4-5-7(9)8(6)10/h10H,2-5H2,1H3

InChI Key

XAXYCXCTGDUBNW-UHFFFAOYSA-N

Formula

C8H12O2

SMILES

CCCC1=C(O)C(=O)CC1

Molecular Weight¹

140.18

CAS

25684-04-2

Other Names

• 2-Cyclopenten-1-one, 2-hydroxy-3-propyl

• 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°	-187.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-382.72	kJ/mol	Joback Calculated Property
ΔfusH°	13.38	kJ/mol	Joback Calculated Property
ΔvapH°	56.51	kJ/mol	Joback Calculated Property
log10WS	-2.02		Crippen Calculated Property
logPoct/wat	1.962		Crippen Calculated Property
McVol	115.860	ml/mol	McGowan Calculated Property
Pc	3718.02	kPa	Joback Calculated Property
Inp	[1188.00; 1188.00]
Inp	1188.00		NIST
Inp	1188.00		NIST
Inp	1188.00		NIST
I	[1891.00; 1891.00]
I	1891.00		NIST
I	1891.00		NIST
I	1891.00		NIST
Tboil	571.51	K	Joback Calculated Property
Tc	773.68	K	Joback Calculated Property
Tfus	349.90	K	Joback Calculated Property
Vc	0.438	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[281.64; 342.74]	J/mol×K	[571.51; 773.68]
Cp,gas	281.64	J/mol×K	571.51	Joback Calculated Property
Cp,gas	293.12	J/mol×K	605.21	Joback Calculated Property
Cp,gas	304.08	J/mol×K	638.90	Joback Calculated Property
Cp,gas	314.52	J/mol×K	672.60	Joback Calculated Property
Cp,gas	324.44	J/mol×K	706.29	Joback Calculated Property
Cp,gas	333.85	J/mol×K	739.99	Joback Calculated Property
Cp,gas	342.74	J/mol×K	773.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Hydroxy-3-propyl-2-cyclopenten-1-one.

Sources

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

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