Chemical Properties of Benzaldehyde, 3-methyl- (CAS 620-23-5)

InChI

InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3

InChI Key

OVWYEQOVUDKZNU-UHFFFAOYSA-N

Formula

C8H8O

SMILES

Cc1cccc(C=O)c1

Molecular Weight¹

120.15

CAS

620-23-5

Other Names

• m-Tolualdehyde
• m-Methylbenzaldehyde
• 3-Methylbenzaldehyde
• m-Toluylaldehyde
• 3-CH3C6H4CHO

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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_boilr : Boiling point at reduced pressure (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
PAff	840.00	kJ/mol	NIST
BasG	808.10	kJ/mol	NIST
EA	0.41 ± 0.01	eV	NIST
ΔfG°	19.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-68.97	kJ/mol	Joback Calculated Property
ΔfusH°	12.42	kJ/mol	Joback Calculated Property
ΔvapH°	43.06	kJ/mol	Joback Calculated Property
log10WS	-2.19		Crippen Calculated Property
logPoct/wat	1.808		Crippen Calculated Property
McVol	101.390	ml/mol	McGowan Calculated Property
Pc	3925.85	kPa	Joback Calculated Property
Inp	[1034.00; 1086.00]
Inp	1060.60		NIST
Inp	1070.40		NIST
Inp	1081.00		NIST
Inp	1059.00		NIST
Inp	1086.00		NIST
Inp	1047.00		NIST
Inp	1034.00		NIST
Inp	1040.00		NIST
Inp	1056.00		NIST
Inp	1053.00		NIST
Inp	1081.00		NIST
Inp	1056.00		NIST
I	[1611.00; 1632.00]
I	1624.00		NIST
I	1624.00		NIST
I	Outlier 1611.00		NIST
I	1623.00		NIST
I	1626.00		NIST
I	1626.00		NIST
I	1627.00		NIST
I	1628.00		NIST
I	1630.00		NIST
I	1632.00		NIST
I	1630.00		NIST
I	Outlier 1611.00		NIST
I	1628.00		NIST
I	1624.00		NIST
Tboil	472.20	K	NIST
Tc	679.96	K	Joback Calculated Property
Tfus	260.86	K	Joback Calculated Property
Vc	0.393	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[194.28; 250.87]	J/mol×K	[462.76; 679.96]
Cp,gas	194.28	J/mol×K	462.76	Joback Calculated Property
Cp,gas	205.24	J/mol×K	498.96	Joback Calculated Property
Cp,gas	215.55	J/mol×K	535.16	Joback Calculated Property
Cp,gas	225.25	J/mol×K	571.36	Joback Calculated Property
Cp,gas	234.35	J/mol×K	607.56	Joback Calculated Property
Cp,gas	242.88	J/mol×K	643.76	Joback Calculated Property
Cp,gas	250.87	J/mol×K	679.96	Joback Calculated Property
η	[0.0002879; 0.0022848]	Pa×s	[260.86; 462.76]
η	0.0022848	Pa×s	260.86	Joback Calculated Property
η	0.0013282	Pa×s	294.51	Joback Calculated Property
η	0.0008630	Pa×s	328.16	Joback Calculated Property
η	0.0006075	Pa×s	361.81	Joback Calculated Property
η	0.0004540	Pa×s	395.46	Joback Calculated Property
η	0.0003551	Pa×s	429.11	Joback Calculated Property
η	0.0002879	Pa×s	462.76	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Benzaldehyde, 3-methyl-.

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.