Chemical Properties of 1,3-Dioxolane, 2-(phenylmethyl)- (CAS 101-49-5)

InChI

InChI=1S/C10H12O2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5,10H,6-8H2

InChI Key

SSZACLYPEFCREM-UHFFFAOYSA-N

Formula

C10H12O2

SMILES

c1ccc(CC2OCCO2)cc1

Molecular Weight¹

164.20

CAS

101-49-5

Other Names

• 1,3-Dioxolane, 2-benzyl-
• Phenylacetaldehyde ethylene acetal
• Phenylacetaldehyde glycol acetal
• 2-Benzyl-1,3-dioxolane
• Phenylacetaldehyde ethylene glycol acetal
• 2-Benzyldioxolan

• 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_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_boilr : Boiling point at reduced pressure (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°	10.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-216.72	kJ/mol	Joback Calculated Property
ΔfusH°	25.59	kJ/mol	Joback Calculated Property
ΔvapH°	49.41	kJ/mol	Joback Calculated Property
log10WS	-1.79		Crippen Calculated Property
logPoct/wat	1.602		Crippen Calculated Property
McVol	128.880	ml/mol	McGowan Calculated Property
Pc	3522.09	kPa	Joback Calculated Property
Inp	[1276.90; 1276.90]
Inp	1276.90		NIST
Inp	1276.90		NIST
I	[1910.00; 1940.00]
I	1940.00		NIST
I	1910.00		NIST
Tboil	524.06	K	Joback Calculated Property
Tc	759.82	K	Joback Calculated Property
Tfus	292.92	K	Joback Calculated Property
Vc	0.470	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[302.00; 386.66]	J/mol×K	[524.06; 759.82]
Cp,gas	302.00	J/mol×K	524.06	Joback Calculated Property
Cp,gas	318.92	J/mol×K	563.35	Joback Calculated Property
Cp,gas	334.64	J/mol×K	602.65	Joback Calculated Property
Cp,gas	349.22	J/mol×K	641.94	Joback Calculated Property
Cp,gas	362.71	J/mol×K	681.23	Joback Calculated Property
Cp,gas	375.17	J/mol×K	720.53	Joback Calculated Property
Cp,gas	386.66	J/mol×K	759.82	Joback Calculated Property
η	[0.0003354; 0.0040235]	Pa×s	[292.92; 524.06]
η	0.0040235	Pa×s	292.92	Joback Calculated Property
η	0.0020905	Pa×s	331.44	Joback Calculated Property
η	0.0012448	Pa×s	369.97	Joback Calculated Property
η	0.0008174	Pa×s	408.49	Joback Calculated Property
η	0.0005771	Pa×s	447.01	Joback Calculated Property
η	0.0004306	Pa×s	485.54	Joback Calculated Property
η	0.0003354	Pa×s	524.06	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 1,3-Dioxolane, 2-(phenylmethyl)-.

Sources

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

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