Chemical Properties of 2-n-Heptylcyclopentanone (CAS 137-03-1)

InChI

InChI=1S/C12H22O/c1-2-3-4-5-6-8-11-9-7-10-12(11)13/h11H,2-10H2,1H3

InChI Key

PJXHBTZLHITWFX-UHFFFAOYSA-N

Formula

C12H22O

SMILES

CCCCCCCC1CCCC1=O

Molecular Weight¹

182.30

CAS

137-03-1

Other Names

• 2-Heptylcyclopentanone
• Cyclopentanone, 2-heptyl-
• Alismone
• Cyclopentanone, 2-n-heptyl-
• 2-Heptylcyclopentan-1-one
• «alpha»-Heptyl cyclopentanone

• 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°	-35.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-368.23	kJ/mol	Joback Calculated Property
ΔfusH°	20.28	kJ/mol	Joback Calculated Property
ΔvapH°	46.81	kJ/mol	Joback Calculated Property
log10WS	-3.78		Crippen Calculated Property
logPoct/wat	3.716		Crippen Calculated Property
McVol	170.650	ml/mol	McGowan Calculated Property
Pc	2153.30	kPa	Joback Calculated Property
Inp	[1430.70; 1430.70]
Inp	1430.70		NIST
Inp	1430.70		NIST
Tboil	557.06	K	Joback Calculated Property
Tc	756.95	K	Joback Calculated Property
Tfus	304.12	K	Joback Calculated Property
Vc	0.655	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[435.75; 537.65]	J/mol×K	[557.06; 756.95]
Cp,gas	435.75	J/mol×K	557.06	Joback Calculated Property
Cp,gas	454.96	J/mol×K	590.38	Joback Calculated Property
Cp,gas	473.27	J/mol×K	623.69	Joback Calculated Property
Cp,gas	490.67	J/mol×K	657.01	Joback Calculated Property
Cp,gas	507.20	J/mol×K	690.32	Joback Calculated Property
Cp,gas	522.85	J/mol×K	723.64	Joback Calculated Property
Cp,gas	537.65	J/mol×K	756.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-n-Heptylcyclopentanone.

Sources

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

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