Chemical Properties of 4-Butylcyclopenten-3-one

InChI

InChI=1S/C9H14O/c1-2-3-5-8-6-4-7-9(8)10/h4,7-8H,2-3,5-6H2,1H3

InChI Key

TZIXJRCVLIIIEA-UHFFFAOYSA-N

Formula

C9H14O

SMILES

CCCCC1CC=CC1=O

Molecular Weight¹

138.21

• 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°	-31.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-248.53	kJ/mol	Joback Calculated Property
ΔfusH°	13.73	kJ/mol	Joback Calculated Property
ΔvapH°	40.42	kJ/mol	Joback Calculated Property
log10WS	-2.38		Crippen Calculated Property
logPoct/wat	2.322		Crippen Calculated Property
McVol	124.080	ml/mol	McGowan Calculated Property
Pc	2982.79	kPa	Joback Calculated Property
I	[1599.00; 1599.00]
I	1599.00		NIST
I	1599.00		NIST
Tboil	487.58	K	Joback Calculated Property
Tc	698.55	K	Joback Calculated Property
Tfus	271.07	K	Joback Calculated Property
Vc	0.473	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[275.12; 358.55]	J/mol×K	[487.58; 698.55]
Cp,gas	275.12	J/mol×K	487.58	Joback Calculated Property
Cp,gas	290.82	J/mol×K	522.74	Joback Calculated Property
Cp,gas	305.80	J/mol×K	557.90	Joback Calculated Property
Cp,gas	320.05	J/mol×K	593.07	Joback Calculated Property
Cp,gas	333.59	J/mol×K	628.23	Joback Calculated Property
Cp,gas	346.42	J/mol×K	663.39	Joback Calculated Property
Cp,gas	358.55	J/mol×K	698.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Butylcyclopenten-3-one.

Sources

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

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