Chemical Properties of 2-Cyclopenten-1-one, 5-butyl-3-methoxy- (CAS 53690-89-4)

InChI

InChI=1S/C10H16O2/c1-3-4-5-8-6-9(12-2)7-10(8)11/h7-8H,3-6H2,1-2H3

InChI Key

CONTYKWBFDNXFF-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

CCCCC1CC(OC)=CC1=O

Molecular Weight¹

168.23

CAS

53690-89-4

• 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°	-137.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-412.86	kJ/mol	Joback Calculated Property
ΔfusH°	17.12	kJ/mol	Joback Calculated Property
ΔvapH°	45.72	kJ/mol	Joback Calculated Property
log10WS	-2.38		Crippen Calculated Property
logPoct/wat	2.296		Crippen Calculated Property
McVol	144.040	ml/mol	McGowan Calculated Property
Pc	2605.74	kPa	Joback Calculated Property
Inp	[1156.00; 1156.00]
Inp	1156.00		NIST
Inp	1156.00		NIST
Tboil	537.86	K	Joback Calculated Property
Tc	744.83	K	Joback Calculated Property
Tfus	317.09	K	Joback Calculated Property
Vc	0.547	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[346.57; 432.31]	J/mol×K	[537.86; 744.83]
Cp,gas	346.57	J/mol×K	537.86	Joback Calculated Property
Cp,gas	362.58	J/mol×K	572.35	Joback Calculated Property
Cp,gas	377.92	J/mol×K	606.85	Joback Calculated Property
Cp,gas	392.57	J/mol×K	641.34	Joback Calculated Property
Cp,gas	406.52	J/mol×K	675.84	Joback Calculated Property
Cp,gas	419.77	J/mol×K	710.33	Joback Calculated Property
Cp,gas	432.31	J/mol×K	744.83	Joback Calculated Property

Similar Compounds

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

Sources

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

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