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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.12; 337.02]	J/mol×K	[501.38; 741.82]
Cp,gas	257.12	J/mol×K	501.38	Joback Calculated Property
Cp,gas	273.17	J/mol×K	541.45	Joback Calculated Property
Cp,gas	288.06	J/mol×K	581.53	Joback Calculated Property
Cp,gas	301.83	J/mol×K	621.60	Joback Calculated Property
Cp,gas	314.54	J/mol×K	661.67	Joback Calculated Property
Cp,gas	326.26	J/mol×K	701.74	Joback Calculated Property
Cp,gas	337.02	J/mol×K	741.82	Joback Calculated Property
η	[0.0003577; 0.0040267]	Pa×s	[281.65; 501.38]
η	0.0040267	Pa×s	281.65	Joback Calculated Property
η	0.0021325	Pa×s	318.27	Joback Calculated Property
η	0.0012876	Pa×s	354.89	Joback Calculated Property
η	0.0008545	Pa×s	391.51	Joback Calculated Property
η	0.0006082	Pa×s	428.14	Joback Calculated Property
η	0.0004568	Pa×s	464.76	Joback Calculated Property
η	0.0003577	Pa×s	501.38	Joback Calculated Property
ΔvapH	62.10 ± 0.30	kJ/mol	315.50	NIST

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

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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