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_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).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-210.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.59	kJ/mol	Joback Calculated Property
ΔvapH°	65.90	kJ/mol	Relay (1.0) Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-1.36		Relay (1.0) 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	509.93	K	Relay (1.0) Calculated Property
Tc	728.87	K	Relay (1.0) Calculated Property
Tfus	265.42	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[302.09; 386.74]	J/mol×K	[524.26; 760.11]
Cp,gas	302.09	J/mol×K	524.26	Joback Calculated Property
Cp,gas	319.01	J/mol×K	563.57	Joback Calculated Property
Cp,gas	334.73	J/mol×K	602.88	Joback Calculated Property
Cp,gas	349.30	J/mol×K	642.19	Joback Calculated Property
Cp,gas	362.79	J/mol×K	681.49	Joback Calculated Property
Cp,gas	375.25	J/mol×K	720.80	Joback Calculated Property
Cp,gas	386.74	J/mol×K	760.11	Joback Calculated Property
η	[0.0003350; 0.0040235]	Pa×s	[292.92; 524.26]
η	0.0040235	Pa×s	292.92	Joback Calculated Property
η	0.0020894	Pa×s	331.48	Joback Calculated Property
η	0.0012438	Pa×s	370.03	Joback Calculated Property
η	0.0008166	Pa×s	408.59	Joback Calculated Property
η	0.0005765	Pa×s	447.15	Joback Calculated Property
η	0.0004301	Pa×s	485.70	Joback Calculated Property
η	0.0003350	Pa×s	524.26	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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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