Chemical Properties of 1,3-DIOXOLANE, 2-METHYL-2-PHENYL-

InChI

InChI=1S/C10H12O2/c1-10(11-7-8-12-10)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

InChI Key

GAOQAPRPYXWTFK-UHFFFAOYSA-N

Formula

C10H12O2

SMILES

CC1(c2ccccc2)OCCO1

Molecular Weight¹

164.20

Other Names

• Acetophenone ethylene ketal
• 2-Methyl-2-phenyl-1,3-dioxolane

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-5306.30 ± 2.00	kJ/mol	NIST
ΔfH°gas	-261.90 ± 2.20	kJ/mol	NIST
ΔfH°solid	-343.80 ± 2.10	kJ/mol	NIST
ΔfusH°	19.29	kJ/mol	Joback Calculated Property
ΔsubH°	[81.88; 81.90]	kJ/mol
ΔsubH°	81.88 ± 0.50	kJ/mol	NIST
ΔsubH°	81.90	kJ/mol	NIST
IE	8.79	eV	Relay (1.0) Calculated Property
logPoct/wat	1.906		Crippen Calculated Property
McVol	128.880	ml/mol	McGowan Calculated Property
Tboil	477.44	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[157.93; 446.38]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.15940e+02
Coefficient B			1.29252e+00
Coefficient C			-1.18360e-03
Coefficient D			4.53400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	157.93	J/mol×K	273.00	Calculated Property
Cp,gas	213.26	J/mol×K	353.78	Calculated Property
Cp,gas	259.43	J/mol×K	434.56	Calculated Property
Cp,gas	297.86	J/mol×K	515.33	Calculated Property
Cp,gas	330.00	J/mol×K	596.11	Calculated Property
Cp,gas	357.27	J/mol×K	676.89	Calculated Property
Cp,gas	381.11	J/mol×K	757.67	Calculated Property
Cp,gas	402.95	J/mol×K	838.44	Calculated Property
Cp,gas	424.23	J/mol×K	919.22	Calculated Property
Cp,gas	446.38	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-DIOXOLANE, 2-METHYL-2-PHENYL-.

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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