Chemical Properties of 4-ethylbenzaldehyde (CAS 53951-50-1)

InChI

InChI=1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3

InChI Key

QNGNSVIICDLXHT-UHFFFAOYSA-N

Formula

C9H10O

SMILES

CCc1ccc(C=O)cc1

Molecular Weight¹

134.18

CAS

53951-50-1

Other Names

• ethylbenzaldehyde
• Benzaldehyde, 4-ethyl-
• p-Ethylbenzaldehyde
• 4-ethylbenzenecarbaldehyde
• Benzaldehyde, ethyl-

• 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	0.4410		Relay (1.0) Calculated Property
ΔfG°	28.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-102.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.01	kJ/mol	Joback Calculated Property
ΔvapH°	61.35	kJ/mol	Relay (1.0) Calculated Property
IE	9.31	eV	Relay (1.0) Calculated Property
log10WS	-2.41		Relay (1.0) Calculated Property
logPoct/wat	2.062		Crippen Calculated Property
McVol	115.480	ml/mol	McGowan Calculated Property
Pc	3493.01	kPa	Joback Calculated Property
Inp	[197.00; 1206.00]
Inp	1181.00		NIST
Inp	1175.00		NIST
Inp	1169.00		NIST
Inp	1194.00		NIST
Inp	1169.00		NIST
Inp	1154.00		NIST
Inp	1206.00		NIST
Inp	1155.00		NIST
Inp	1171.00		NIST
Inp	1171.00		NIST
Inp	1164.00		NIST
Inp	1152.00		NIST
Inp	1147.00		NIST
Inp	1174.00		NIST
Inp	Outlier 197.00		NIST
Inp	1174.00		NIST
Inp	1206.00		NIST
Inp	1181.00		NIST
Inp	1171.00		NIST
Inp	Outlier 197.00		NIST
Inp	1175.00		NIST
I	[1711.00; 1753.00]
I	1714.00		NIST
I	1731.00		NIST
I	1730.00		NIST
I	1714.00		NIST
I	1714.00		NIST
I	1753.00		NIST
I	1735.00		NIST
I	1752.00		NIST
I	1753.00		NIST
I	1711.00		NIST
I	1719.00		NIST
I	1714.00		NIST
I	1712.00		NIST
I	1745.00		NIST
I	1730.00		NIST
I	1728.00		NIST
I	1735.00		NIST
I	1747.00		NIST
I	1732.00		NIST
I	1739.00		NIST
I	1712.00		NIST
I	1731.00		NIST
I	1731.00		NIST
I	1735.00		NIST
I	1730.00		NIST
I	1752.00		NIST
Tboil	493.67	K	Relay (1.0) Calculated Property
Tc	720.95	K	Relay (1.0) Calculated Property
Tfus	256.85	K	Relay (1.0) Calculated Property
Vc	0.420	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[146.61; 352.86]	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			-1.34990e+01
Coefficient B			6.94920e-01
Coefficient C			-4.22960e-04
Coefficient D			9.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	146.61	J/mol×K	273.00	Calculated Property
Cp,gas	183.59	J/mol×K	353.78	Calculated Property
Cp,gas	216.36	J/mol×K	434.56	Calculated Property
Cp,gas	245.21	J/mol×K	515.33	Calculated Property
Cp,gas	270.45	J/mol×K	596.11	Calculated Property
Cp,gas	292.37	J/mol×K	676.89	Calculated Property
Cp,gas	311.27	J/mol×K	757.67	Calculated Property
Cp,gas	327.46	J/mol×K	838.44	Calculated Property
Cp,gas	341.22	J/mol×K	919.22	Calculated Property
Cp,gas	352.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0024281; 0.0002753]	Pa×s	[272.13; 489.92]	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			-1.09178e+01
Coefficient B			1.33267e+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.			272.13
Temperature range, max.			489.92
η	0.0024281	Pa×s	272.13	Calculated Property
η	0.0016277	Pa×s	296.33	Calculated Property
η	0.0011591	Pa×s	320.53	Calculated Property
η	0.0008657	Pa×s	344.73	Calculated Property
η	0.0006718	Pa×s	368.93	Calculated Property
η	0.0005379	Pa×s	393.13	Calculated Property
η	0.0004419	Pa×s	417.33	Calculated Property
η	0.0003709	Pa×s	441.52	Calculated Property
η	0.0003171	Pa×s	465.72	Calculated Property
η	0.0002753	Pa×s	489.92	Calculated Property

Similar Compounds

Find more compounds similar to 4-ethylbenzaldehyde.

Sources

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

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