Chemical Properties of Cyclohexanone-1,3-butanediol ketal

InChI

InChI=1S/C9H16O2/c1-8-7-10-9(11-8)5-3-2-4-6-9/h8H,2-7H2,1H3

InChI Key

LKGNKCNAPNUZCM-UHFFFAOYSA-N

Formula

C9H16O2

SMILES

CC1COC2(CCCCC2)O1

Molecular Weight¹

156.22

• 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°	-79.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-356.89	kJ/mol	Joback Calculated Property
ΔfusH°	16.60	kJ/mol	Joback Calculated Property
ΔvapH°	44.01	kJ/mol	Joback Calculated Property
log10WS	-2.27		Crippen Calculated Property
logPoct/wat	2.082		Crippen Calculated Property
McVol	127.690	ml/mol	McGowan Calculated Property
Pc	3480.65	kPa	Joback Calculated Property
Inp	1186.00		NIST
I	[1500.00; 1500.00]
I	1500.00		NIST
I	1500.00		NIST
Tboil	490.02	K	Joback Calculated Property
Tc	722.61	K	Joback Calculated Property
Tfus	290.03	K	Joback Calculated Property
Vc	0.462	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[307.75; 407.92]	J/mol×K	[490.02; 722.61]
Cp,gas	307.75	J/mol×K	490.02	Joback Calculated Property
Cp,gas	327.69	J/mol×K	528.79	Joback Calculated Property
Cp,gas	346.12	J/mol×K	567.55	Joback Calculated Property
Cp,gas	363.20	J/mol×K	606.32	Joback Calculated Property
Cp,gas	379.09	J/mol×K	645.08	Joback Calculated Property
Cp,gas	393.94	J/mol×K	683.85	Joback Calculated Property
Cp,gas	407.92	J/mol×K	722.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanone-1,3-butanediol ketal.

Sources

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

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