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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.28; 557.43]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			7.39300e+00
Coefficient B			9.44440e-01
Coefficient C			-4.41400e-04
Coefficient D			4.70000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	233.28	J/mol×K	273.00	Calculated Property
Cp,gas	288.35	J/mol×K	353.78	Calculated Property
Cp,gas	338.31	J/mol×K	434.56	Calculated Property
Cp,gas	383.30	J/mol×K	515.33	Calculated Property
Cp,gas	423.49	J/mol×K	596.11	Calculated Property
Cp,gas	459.01	J/mol×K	676.89	Calculated Property
Cp,gas	490.02	J/mol×K	757.67	Calculated Property
Cp,gas	516.66	J/mol×K	838.44	Calculated Property
Cp,gas	539.08	J/mol×K	919.22	Calculated Property
Cp,gas	557.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027402; 0.0001528]	Pa×s	[280.88; 521.86]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.21507e+01
Coefficient B			1.75578e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			280.88
Temperature range, max.			521.86
η	0.0027402	Pa×s	280.88	Calculated Property
η	0.0015904	Pa×s	307.66	Calculated Property
η	0.0010071	Pa×s	334.43	Calculated Property
η	0.0006824	Pa×s	361.21	Calculated Property
η	0.0004880	Pa×s	387.98	Calculated Property
η	0.0003643	Pa×s	414.76	Calculated Property
η	0.0002818	Pa×s	441.53	Calculated Property
η	0.0002245	Pa×s	468.31	Calculated Property
η	0.0001833	Pa×s	495.08	Calculated Property
η	0.0001528	Pa×s	521.86	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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