Chemical Properties of Benzaldehyde, 2,4,6-trimethyl- (CAS 487-68-3)

InChI

InChI=1S/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3

InChI Key

HIKRJHFHGKZKRI-UHFFFAOYSA-N

Formula

C10H12O

SMILES

Cc1cc(C)c(C=O)c(C)c1

Molecular Weight¹

148.20

CAS

487-68-3

Other Names

• Mesitaldehyde
• Mesitylaldehyde
• 2-Mesitylenecarboxaldehyde
• 2,4,6-Trimethylbenzaldehyde
• Mesitylenecarboxaldehyde

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• 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
EA	0.44 ± 0.04	eV	NIST
ΔfG°	17.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-133.19	kJ/mol	Joback Calculated Property
ΔfusH°	16.82	kJ/mol	Joback Calculated Property
ΔvapH°	48.84	kJ/mol	Joback Calculated Property
log10WS	-3.14		Crippen Calculated Property
logPoct/wat	2.424		Crippen Calculated Property
McVol	129.570	ml/mol	McGowan Calculated Property
Pc	3025.61	kPa	Joback Calculated Property
Inp	[1286.00; 1347.00]
Inp	1323.00		NIST
Inp	1338.00		NIST
Inp	1338.00		NIST
Inp	1329.00		NIST
Inp	Outlier 1286.00		NIST
Inp	1342.00		NIST
Inp	1335.00		NIST
Inp	1339.00		NIST
Inp	1347.00		NIST
Inp	1335.00		NIST
Inp	1342.00		NIST
Inp	1323.00		NIST
I	[1929.00; 1929.00]
I	1929.00		NIST
I	1929.00		NIST
Tboil	[510.20; 511.70]	K
Tboil	510.20	K	NIST
Tboil	511.70	K	NIST
Tc	731.53	K	Joback Calculated Property
Tfus	308.44	K	Joback Calculated Property
Vc	0.504	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[277.66; 343.43]	J/mol×K	[518.48; 731.53]
Cp,gas	277.66	J/mol×K	518.48	Joback Calculated Property
Cp,gas	290.15	J/mol×K	553.99	Joback Calculated Property
Cp,gas	302.00	J/mol×K	589.50	Joback Calculated Property
Cp,gas	313.24	J/mol×K	625.00	Joback Calculated Property
Cp,gas	323.88	J/mol×K	660.51	Joback Calculated Property
Cp,gas	333.94	J/mol×K	696.02	Joback Calculated Property
Cp,gas	343.43	J/mol×K	731.53	Joback Calculated Property
η	[0.0002548; 0.0014505]	Pa×s	[308.44; 518.48]
η	0.0014505	Pa×s	308.44	Joback Calculated Property
η	0.0009364	Pa×s	343.45	Joback Calculated Property
η	0.0006555	Pa×s	378.45	Joback Calculated Property
η	0.0004874	Pa×s	413.46	Joback Calculated Property
η	0.0003796	Pa×s	448.47	Joback Calculated Property
η	0.0003065	Pa×s	483.47	Joback Calculated Property
η	0.0002548	Pa×s	518.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzaldehyde, 2,4,6-trimethyl-.

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.