Chemical Properties of 1,3-Dioxolane, 2-phenyl- (CAS 936-51-6)

InChI

InChI=1S/C9H10O2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,9H,6-7H2

InChI Key

LYINTWKRUWVLBA-UHFFFAOYSA-N

Formula

C9H10O2

SMILES

c1ccc(C2OCCO2)cc1

Molecular Weight¹

150.17

CAS

936-51-6

Other Names

• 2-Phenyl-1,3-dioxolane
• Benzaldehyde ethylene acetal

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-4703.30	kJ/mol	NIST
ΔfH°gas	-205.30 ± 1.30	kJ/mol	NIST
ΔfH°liquid	-267.40 ± 1.30	kJ/mol	NIST
ΔfusH°	23.00	kJ/mol	Joback Calculated Property
ΔvapH°	[62.10; 62.60]	kJ/mol
ΔvapH°	62.60 ± 0.70	kJ/mol	NIST
ΔvapH°	62.13 ± 0.25	kJ/mol	NIST
ΔvapH°	62.10	kJ/mol	NIST
IE	8.92	eV	Relay (1.0) Calculated Property
log10WS	-1.05		Relay (1.0) Calculated Property
logPoct/wat	1.732		Crippen Calculated Property
McVol	114.790	ml/mol	McGowan Calculated Property
Inp	[1215.00; 1224.00]
Inp	1224.00		NIST
Inp	1215.00		NIST
Inp	1215.00		NIST
Tboil	413.20	K	NIST
Tfus	314.48	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[140.64; 387.46]	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			-6.50400e+01
Coefficient B			9.05600e-01
Coefficient C			-5.96600e-04
Coefficient D			1.43500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	140.64	J/mol×K	273.00	Calculated Property
Cp,gas	187.03	J/mol×K	353.78	Calculated Property
Cp,gas	227.61	J/mol×K	434.56	Calculated Property
Cp,gas	262.85	J/mol×K	515.33	Calculated Property
Cp,gas	293.19	J/mol×K	596.11	Calculated Property
Cp,gas	319.11	J/mol×K	676.89	Calculated Property
Cp,gas	341.03	J/mol×K	757.67	Calculated Property
Cp,gas	359.43	J/mol×K	838.44	Calculated Property
Cp,gas	374.76	J/mol×K	919.22	Calculated Property
Cp,gas	387.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040267; 0.0003214]	Pa×s	[281.65; 519.27]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.10392e+01
Coefficient B			1.55594e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			281.65
Temperature range, max.			519.27
η	0.0040267	Pa×s	281.65	Calculated Property
η	0.0025079	Pa×s	308.05	Calculated Property
η	0.0016833	Pa×s	334.45	Calculated Property
η	0.0011976	Pa×s	360.86	Calculated Property
η	0.0008926	Pa×s	387.26	Calculated Property
η	0.0006907	Pa×s	413.66	Calculated Property
η	0.0005512	Pa×s	440.06	Calculated Property
η	0.0004512	Pa×s	466.47	Calculated Property
η	0.0003774	Pa×s	492.87	Calculated Property
η	0.0003214	Pa×s	519.27	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dioxolane, 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

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