Chemical Properties of Acetone-1-phenyl 1,2-ethandiol ketal (CAS 52129-03-0)

InChI

InChI=1S/C11H14O2/c1-11(2)12-8-10(13-11)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3

InChI Key

SFDXYHMRHIVYET-UHFFFAOYSA-N

Formula

C11H14O2

SMILES

CC1(C)OCC(c2ccccc2)O1

Molecular Weight¹

178.23

CAS

52129-03-0

Other Names

• 1,3-Dioxolane, 2,2-dimethyl-4-phenyl

• 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°	5.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-242.46	kJ/mol	Joback Calculated Property
ΔfusH°	22.95	kJ/mol	Joback Calculated Property
ΔvapH°	50.17	kJ/mol	Joback Calculated Property
log10WS	-2.67		Crippen Calculated Property
logPoct/wat	2.511		Crippen Calculated Property
McVol	142.970	ml/mol	McGowan Calculated Property
Pc	3195.54	kPa	Joback Calculated Property
Inp	[1260.00; 1260.00]
Inp	1260.00		NIST
Inp	1260.00		NIST
I	1766.00		NIST
Tboil	542.51	K	Joback Calculated Property
Tc	783.75	K	Joback Calculated Property
Tfus	323.85	K	Joback Calculated Property
Vc	0.523	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[349.20; 439.81]	J/mol×K	[542.51; 783.75]
Cp,gas	349.20	J/mol×K	542.51	Joback Calculated Property
Cp,gas	367.12	J/mol×K	582.72	Joback Calculated Property
Cp,gas	383.68	J/mol×K	622.92	Joback Calculated Property
Cp,gas	399.06	J/mol×K	663.13	Joback Calculated Property
Cp,gas	413.43	J/mol×K	703.34	Joback Calculated Property
Cp,gas	426.95	J/mol×K	743.54	Joback Calculated Property
Cp,gas	439.81	J/mol×K	783.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetone-1-phenyl 1,2-ethandiol ketal.

Sources

• 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.