Chemical Properties of Cyclododecanone 2,2-dimethylpropanediol-1,3 acetal

InChI

InChI=1S/C17H32O2/c1-16(2)14-18-17(19-15-16)12-10-8-6-4-3-5-7-9-11-13-17/h3-15H2,1-2H3

InChI Key

YOBIVFGYEOMIEI-UHFFFAOYSA-N

Formula

C17H32O2

SMILES

CC1(C)COC2(CCCCCCCCCCC2)OC1

Molecular Weight¹

268.43

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.3735		Relay (... Calculated Property
ΔfG°	-102.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-628.22	kJ/mol	Relay (... Calculated Property
ΔfusH°	16.32	kJ/mol	Joback Calculated Property
ΔvapH°	72.39	kJ/mol	Relay (... Calculated Property
IE	9.15	eV	Relay (... Calculated Property
log10WS	-4.73		Relay (... Calculated Property
logPoct/wat	5.060		Crippen Calculated Property
McVol	240.410	ml/mol	McGowan Calculated Property
Pc	1987.66	kPa	Joback Calculated Property
Inp	[1896.00; 1930.30]
Inp	1896.00		NIST
Inp	1908.40		NIST
Inp	1930.30		NIST
Inp	1896.00		NIST
I	[2237.90; 2307.90]
I	2237.90		NIST
I	2276.80		NIST
I	2307.90		NIST
I	2237.90		NIST
Tboil	619.35	K	Relay (... Calculated Property
Tc	816.93	K	Relay (... Calculated Property
Tfus	364.46	K	Relay (... Calculated Property
Vc	0.843	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[746.35; 908.81]	J/mol×K	[703.19; 964.58]
Cp,gas	746.35	J/mol×K	703.19	Joback Calculated Property
Cp,gas	776.51	J/mol×K	746.75	Joback Calculated Property
Cp,gas	805.01	J/mol×K	790.32	Joback Calculated Property
Cp,gas	832.17	J/mol×K	833.88	Joback Calculated Property
Cp,gas	858.32	J/mol×K	877.45	Joback Calculated Property
Cp,gas	883.76	J/mol×K	921.01	Joback Calculated Property
Cp,gas	908.81	J/mol×K	964.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclododecanone 2,2-dimethylpropanediol-1,3 acetal.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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