Chemical Properties of Methyl n-hexyl ketone-1-phenyl-1,2-ethanediol ketal 2

InChI

InChI=1S/C16H24O2/c1-3-4-5-9-12-16(2)17-13-15(18-16)14-10-7-6-8-11-14/h6-8,10-11,15H,3-5,9,12-13H2,1-2H3

InChI Key

ZYMAQLGBEVTHJC-UHFFFAOYSA-N

Formula

C16H24O2

SMILES

CCCCCCC1(C)OCC(c2ccccc2)O1

Molecular Weight¹

248.36

Other Names

• 1,3-Dioxolane, 2-methyl-2-hexyl-4-phenyl, # 2

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔfusH°	35.90	kJ/mol	Joback Calculated Property
ΔvapH°	83.71	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.461		Crippen Calculated Property
McVol	213.420	ml/mol	McGowan Calculated Property
Inp	[1758.00; 1758.00]
Inp	1758.00		NIST
Inp	1758.00		NIST
I	[2248.00; 2248.00]
I	2248.00		NIST
I	2248.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[603.84; 710.59]	J/mol×K	[657.11; 876.17]
Cp,gas	603.84	J/mol×K	657.11	Joback Calculated Property
Cp,gas	623.96	J/mol×K	693.62	Joback Calculated Property
Cp,gas	642.95	J/mol×K	730.13	Joback Calculated Property
Cp,gas	660.96	J/mol×K	766.64	Joback Calculated Property
Cp,gas	678.14	J/mol×K	803.15	Joback Calculated Property
Cp,gas	694.64	J/mol×K	839.66	Joback Calculated Property
Cp,gas	710.59	J/mol×K	876.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl n-hexyl ketone-1-phenyl-1,2-ethanediol ketal 2.

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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