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

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

• 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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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.
• 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
ΔcH°liquid	-4703.30	kJ/mol	NIST
ΔfG°	1.62	kJ/mol	Joback Calculated Property
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
log10WS	-1.72		Crippen Calculated Property
logPoct/wat	1.732		Crippen Calculated Property
McVol	114.790	ml/mol	McGowan Calculated Property
Pc	3960.52	kPa	Joback Calculated Property
Inp	[1215.00; 1224.00]
Inp	1224.00		NIST
Inp	1215.00		NIST
Inp	1215.00		NIST
Tboil	413.20	K	NIST
Tc	741.52	K	Joback Calculated Property
Tfus	281.65	K	Joback Calculated Property
Vc	0.414	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.04; 336.95]	J/mol×K	[501.18; 741.52]
Cp,gas	257.04	J/mol×K	501.18	Joback Calculated Property
Cp,gas	273.09	J/mol×K	541.24	Joback Calculated Property
Cp,gas	287.97	J/mol×K	581.29	Joback Calculated Property
Cp,gas	301.75	J/mol×K	621.35	Joback Calculated Property
Cp,gas	314.46	J/mol×K	661.41	Joback Calculated Property
Cp,gas	326.18	J/mol×K	701.46	Joback Calculated Property
Cp,gas	336.95	J/mol×K	741.52	Joback Calculated Property
η	[0.0003581; 0.0040267]	Pa×s	[281.65; 501.18]
η	0.0040267	Pa×s	281.65	Joback Calculated Property
η	0.0021336	Pa×s	318.24	Joback Calculated Property
η	0.0012887	Pa×s	354.83	Joback Calculated Property
η	0.0008553	Pa×s	391.41	Joback Calculated Property
η	0.0006089	Pa×s	428.00	Joback Calculated Property
η	0.0004573	Pa×s	464.59	Joback Calculated Property
η	0.0003581	Pa×s	501.18	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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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