Chemical Properties of Vinylbenzaldehyde

InChI

InChI=1S/C9H8O/c1-2-8-3-5-9(7-10)6-4-8/h2-7H,1H2

InChI Key

QBFNGLBSVFKILI-UHFFFAOYSA-N

Formula

C9H8O

SMILES

C=Cc1ccc(C=O)cc1

Molecular Weight¹

132.16

• 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_p : 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	0.4218		Relay (1.0) Calculated Property
ΔfG°	116.00	kJ/mol	Joback Calculated Property
ΔfH°gas	11.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.73	kJ/mol	Joback Calculated Property
ΔvapH°	61.20	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-2.24		Relay (1.0) Calculated Property
logPoct/wat	2.142		Crippen Calculated Property
McVol	111.180	ml/mol	McGowan Calculated Property
Pc	3673.09	kPa	Joback Calculated Property
Ip	[2066.00; 2066.00]
Ip	2066.00		NIST
Ip	2066.00		NIST
Tboil	505.45	K	Relay (1.0) Calculated Property
Tc	743.13	K	Relay (1.0) Calculated Property
Tfus	310.45	K	Relay (1.0) Calculated Property
Vc	0.401	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[136.80; 324.35]	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			-1.64900e+01
Coefficient B			6.74900e-01
Coefficient C			-4.45860e-04
Coefficient D			1.11800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	136.80	J/mol×K	273.00	Calculated Property
Cp,gas	171.42	J/mol×K	353.78	Calculated Property
Cp,gas	201.77	J/mol×K	434.56	Calculated Property
Cp,gas	228.20	J/mol×K	515.33	Calculated Property
Cp,gas	251.07	J/mol×K	596.11	Calculated Property
Cp,gas	270.73	J/mol×K	676.89	Calculated Property
Cp,gas	287.54	J/mol×K	757.67	Calculated Property
Cp,gas	301.84	J/mol×K	838.44	Calculated Property
Cp,gas	313.99	J/mol×K	919.22	Calculated Property
Cp,gas	324.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022252; 0.0002707]	Pa×s	[270.37; 490.99]	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			-1.07960e+01
Coefficient B			1.26751e+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.			270.37
Temperature range, max.			490.99
η	0.0022252	Pa×s	270.37	Calculated Property
η	0.0015070	Pa×s	294.88	Calculated Property
η	0.0010835	Pa×s	319.40	Calculated Property
η	0.0008166	Pa×s	343.91	Calculated Property
η	0.0006390	Pa×s	368.42	Calculated Property
η	0.0005156	Pa×s	392.94	Calculated Property
η	0.0004266	Pa×s	417.45	Calculated Property
η	0.0003605	Pa×s	441.96	Calculated Property
η	0.0003101	Pa×s	466.48	Calculated Property
η	0.0002707	Pa×s	490.99	Calculated Property

Similar Compounds

Find more compounds similar to Vinylbenzaldehyde.

Sources

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

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