Chemical Properties of Acetal of cyclododecanone and 2,2-dimethyl-1,3-propanediol

InChI

InChI=1S/C16H32O2/c1-3-17-16(18-4-2)14-12-10-8-6-5-7-9-11-13-15-16/h3-15H2,1-2H3

InChI Key

XMQLLEROFXPBDO-UHFFFAOYSA-N

Formula

C16H32O2

SMILES

CCOC1(OCC)CCCCCCCCCCC1

Molecular Weight¹

256.42

• 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°	-179.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-605.41	kJ/mol	Joback Calculated Property
ΔfusH°	12.51	kJ/mol	Joback Calculated Property
ΔvapH°	56.34	kJ/mol	Joback Calculated Property
log10WS	-5.20		Crippen Calculated Property
logPoct/wat	5.060		Crippen Calculated Property
McVol	237.180	ml/mol	McGowan Calculated Property
Pc	1753.60	kPa	Joback Calculated Property
Inp	[1896.00; 1930.30]
Inp	1896.00		NIST
Inp	1908.40		NIST
Inp	1930.30		NIST
I	[2237.90; 2307.90]
I	2237.90		NIST
I	2276.80		NIST
I	2307.90		NIST
Tboil	655.73	K	Joback Calculated Property
Tc	880.64	K	Joback Calculated Property
Tfus	324.70	K	Joback Calculated Property
Vc	0.851	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[686.14; 828.26]	J/mol×K	[655.73; 880.64]
Cp,gas	686.14	J/mol×K	655.73	Joback Calculated Property
Cp,gas	713.47	J/mol×K	693.21	Joback Calculated Property
Cp,gas	739.26	J/mol×K	730.70	Joback Calculated Property
Cp,gas	763.57	J/mol×K	768.18	Joback Calculated Property
Cp,gas	786.47	J/mol×K	805.67	Joback Calculated Property
Cp,gas	808.01	J/mol×K	843.15	Joback Calculated Property
Cp,gas	828.26	J/mol×K	880.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetal of cyclododecanone and 2,2-dimethyl-1,3-propanediol.

Sources

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

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