Chemical Properties of 4-(1,2-Dimethyl-cyclopent-2-enyl)-butan-2-one (CAS 75698-06-5)

InChI

InChI=1S/C11H18O/c1-9-5-4-7-11(9,3)8-6-10(2)12/h5H,4,6-8H2,1-3H3

InChI Key

FJXCDFSRZLXRTG-UHFFFAOYSA-N

Formula

C11H18O

SMILES

CC(=O)CCC1(C)CCC=C1C

Molecular Weight¹

166.26

CAS

75698-06-5

• 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°	-35.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-260.92	kJ/mol	Joback Calculated Property
ΔfusH°	14.31	kJ/mol	Joback Calculated Property
ΔvapH°	46.89	kJ/mol	Joback Calculated Property
log10WS	-3.21		Crippen Calculated Property
logPoct/wat	3.102		Crippen Calculated Property
McVol	152.260	ml/mol	McGowan Calculated Property
Pc	2589.85	kPa	Joback Calculated Property
Inp	[1240.00; 1265.00]
Inp	1265.00		NIST
Inp	1240.00		NIST
Tboil	524.61	K	Joback Calculated Property
Tc	732.83	K	Joback Calculated Property
Tfus	311.74	K	Joback Calculated Property
Vc	0.583	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[358.07; 443.83]	J/mol×K	[524.61; 732.83]
Cp,gas	358.07	J/mol×K	524.61	Joback Calculated Property
Cp,gas	374.53	J/mol×K	559.31	Joback Calculated Property
Cp,gas	389.98	J/mol×K	594.02	Joback Calculated Property
Cp,gas	404.53	J/mol×K	628.72	Joback Calculated Property
Cp,gas	418.28	J/mol×K	663.42	Joback Calculated Property
Cp,gas	431.34	J/mol×K	698.12	Joback Calculated Property
Cp,gas	443.83	J/mol×K	732.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(1,2-Dimethyl-cyclopent-2-enyl)-butan-2-one.

Sources

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

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