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-

• 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).
• 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
ΔfG°	28.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-89.61	kJ/mol	Joback Calculated Property
ΔfusH°	15.01	kJ/mol	Joback Calculated Property
ΔvapH°	45.29	kJ/mol	Joback Calculated Property
log10WS	-2.52		Crippen 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	1206.00		NIST
Inp	1174.00		NIST
Inp	Outlier 197.00		NIST
Inp	1175.00		NIST
Inp	1171.00		NIST
Inp	1181.00		NIST
I	[1711.00; 1753.00]
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	1714.00		NIST
I	1735.00		NIST
I	1731.00		NIST
I	1730.00		NIST
I	1752.00		NIST
Tboil	485.64	K	Joback Calculated Property
Tc	699.60	K	Joback Calculated Property
Tfus	272.13	K	Joback Calculated Property
Vc	0.449	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[235.04; 297.98]	J/mol×K	[485.64; 699.60]
Cp,gas	235.04	J/mol×K	485.64	Joback Calculated Property
Cp,gas	247.20	J/mol×K	521.30	Joback Calculated Property
Cp,gas	258.65	J/mol×K	556.96	Joback Calculated Property
Cp,gas	269.43	J/mol×K	592.62	Joback Calculated Property
Cp,gas	279.56	J/mol×K	628.28	Joback Calculated Property
Cp,gas	289.07	J/mol×K	663.94	Joback Calculated Property
Cp,gas	297.98	J/mol×K	699.60	Joback Calculated Property
η	[0.0002820; 0.0024281]	Pa×s	[272.13; 485.64]
η	0.0024281	Pa×s	272.13	Joback Calculated Property
η	0.0013782	Pa×s	307.71	Joback Calculated Property
η	0.0008797	Pa×s	343.30	Joback Calculated Property
η	0.0006110	Pa×s	378.88	Joback Calculated Property
η	0.0004517	Pa×s	414.47	Joback Calculated Property
η	0.0003503	Pa×s	450.06	Joback Calculated Property
η	0.0002820	Pa×s	485.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-ethylbenzaldehyde.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.