Chemical Properties of Ethanal, ethyl phenylethyl acetal

InChI

InChI=1S/C12H18O2/c1-3-13-11(2)14-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3

InChI Key

QQDGMPOYFGNLMT-UHFFFAOYSA-N

Formula

C12H18O2

SMILES

CCOC(C)OCCc1ccccc1

Molecular Weight¹

194.27

• ω : Acentric Factor.
• 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).
• 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_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
ω	0.4957		Relay (1.0) Calculated Property
ΔfG°	-49.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-337.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.73	kJ/mol	Joback Calculated Property
ΔvapH°	66.45	kJ/mol	Relay (1.0) Calculated Property
IE	8.79	eV	Relay (1.0) Calculated Property
log10WS	-2.11		Relay (1.0) Calculated Property
logPoct/wat	2.628		Crippen Calculated Property
McVol	167.920	ml/mol	McGowan Calculated Property
Pc	2345.09	kPa	Joback Calculated Property
Inp	[1332.00; 1332.00]
Inp	1332.00		NIST
Inp	1332.00		NIST
I	[1770.00; 1770.00]
I	1770.00		NIST
I	1770.00		NIST
Tboil	506.51	K	Relay (1.0) Calculated Property
Tc	702.36	K	Relay (1.0) Calculated Property
Tfus	213.47	K	Relay (1.0) Calculated Property
Vc	0.625	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[398.74; 485.63]	J/mol×K	[545.24; 745.51]
Cp,gas	398.74	J/mol×K	545.24	Joback Calculated Property
Cp,gas	415.19	J/mol×K	578.62	Joback Calculated Property
Cp,gas	430.84	J/mol×K	612.00	Joback Calculated Property
Cp,gas	445.70	J/mol×K	645.37	Joback Calculated Property
Cp,gas	459.78	J/mol×K	678.75	Joback Calculated Property
Cp,gas	473.08	J/mol×K	712.13	Joback Calculated Property
Cp,gas	485.63	J/mol×K	745.51	Joback Calculated Property
η	[0.0001323; 0.0027402]	Pa×s	[280.88; 545.24]
η	0.0027402	Pa×s	280.88	Joback Calculated Property
η	0.0011740	Pa×s	324.94	Joback Calculated Property
η	0.0006158	Pa×s	369.00	Joback Calculated Property
η	0.0003707	Pa×s	413.06	Joback Calculated Property
η	0.0002461	Pa×s	457.12	Joback Calculated Property
η	0.0001756	Pa×s	501.18	Joback Calculated Property
η	0.0001323	Pa×s	545.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethanal, ethyl phenylethyl acetal.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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