Chemical Properties of Tolualdehyde (CAS 1334-78-7)

InChI

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

InChI Key

FXLOVSHXALFLKQ-UHFFFAOYSA-N

Formula

C8H8O

SMILES

Cc1ccc(C=O)cc1

Molecular Weight¹

120.15

CAS

1334-78-7

Other Names

• Tolyl aldehyde

• 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	0.4068		Relay (1.0) Calculated Property
ΔfG°	19.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-83.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.42	kJ/mol	Joback Calculated Property
ΔvapH°	56.76	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-1.73		Relay (1.0) 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	[1068.00; 1068.00]
Inp	1068.00		NIST
Inp	1068.00		NIST
I	[1623.00; 1623.00]
I	1623.00		NIST
I	1623.00		NIST
Tboil	478.96	K	Relay (1.0) Calculated Property
Tc	712.42	K	Relay (1.0) Calculated Property
Tfus	272.74	K	Relay (1.0) Calculated Property
Vc	0.368	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[125.40; 301.27]	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			-1.25900e+01
Coefficient B			5.99920e-01
Coefficient C			-3.68560e-04
Coefficient D			8.25000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	125.40	J/mol×K	273.00	Calculated Property
Cp,gas	157.17	J/mol×K	353.78	Calculated Property
Cp,gas	185.28	J/mol×K	434.56	Calculated Property
Cp,gas	209.98	J/mol×K	515.33	Calculated Property
Cp,gas	231.54	J/mol×K	596.11	Calculated Property
Cp,gas	250.21	J/mol×K	676.89	Calculated Property
Cp,gas	266.26	J/mol×K	757.67	Calculated Property
Cp,gas	279.94	J/mol×K	838.44	Calculated Property
Cp,gas	291.53	J/mol×K	919.22	Calculated Property
Cp,gas	301.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022848; 0.0002670]	Pa×s	[260.86; 476.18]	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			-1.08293e+01
Coefficient B			1.23851e+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.			260.86
Temperature range, max.			476.18
η	0.0022848	Pa×s	260.86	Calculated Property
η	0.0015333	Pa×s	284.78	Calculated Property
η	0.0010946	Pa×s	308.71	Calculated Property
η	0.0008203	Pa×s	332.63	Calculated Property
η	0.0006389	Pa×s	356.56	Calculated Property
η	0.0005136	Pa×s	380.48	Calculated Property
η	0.0004236	Pa×s	404.40	Calculated Property
η	0.0003570	Pa×s	428.33	Calculated Property
η	0.0003064	Pa×s	452.25	Calculated Property
η	0.0002670	Pa×s	476.18	Calculated Property

Similar Compounds

Find more compounds similar to Tolualdehyde.

Sources

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

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