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

256.43

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-631.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.51	kJ/mol	Joback Calculated Property
ΔvapH°	71.13	kJ/mol	Relay (1.0) Calculated Property
IE	9.01	eV	Relay (1.0) Calculated Property
logPoct/wat	5.060		Crippen Calculated Property
McVol	237.180	ml/mol	McGowan 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

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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