Chemical Properties of Benzaldehyde, 3,4,5-trimethoxy- (CAS 86-81-7)

InChI

InChI=1S/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H3

InChI Key

OPHQOIGEOHXOGX-UHFFFAOYSA-N

Formula

C10H12O4

SMILES

COc1cc(C=O)cc(OC)c1OC

Molecular Weight¹

196.20

CAS

86-81-7

Other Names

• 3,4,5-Trimethoxybenzaldehyde

• 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_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
ΔfG°	-297.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-529.85	kJ/mol	Joback Calculated Property
ΔfusH°	20.38	kJ/mol	Joback Calculated Property
ΔvapH°	56.07	kJ/mol	Joback Calculated Property
log10WS	-2.07		Crippen Calculated Property
logPoct/wat	1.525		Crippen Calculated Property
McVol	147.180	ml/mol	McGowan Calculated Property
Pc	2862.74	kPa	Joback Calculated Property
Inp	[1551.00; 1621.00]
Inp	1608.00		NIST
Inp	1551.00		NIST
Inp	1621.00		NIST
I	2539.00		NIST
Tboil	585.74	K	Joback Calculated Property
Tc	792.23	K	Joback Calculated Property
Tfus	375.13	K	Joback Calculated Property
Vc	0.558	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[347.43; 411.94]	J/mol×K	[585.74; 792.23]
Cp,gas	347.43	J/mol×K	585.74	Joback Calculated Property
Cp,gas	359.52	J/mol×K	620.16	Joback Calculated Property
Cp,gas	371.11	J/mol×K	654.57	Joback Calculated Property
Cp,gas	382.17	J/mol×K	688.99	Joback Calculated Property
Cp,gas	392.68	J/mol×K	723.40	Joback Calculated Property
Cp,gas	402.61	J/mol×K	757.82	Joback Calculated Property
Cp,gas	411.94	J/mol×K	792.23	Joback Calculated Property
η	[0.0001477; 0.0007464]	Pa×s	[375.13; 585.74]
η	0.0007464	Pa×s	375.13	Joback Calculated Property
η	0.0005076	Pa×s	410.23	Joback Calculated Property
η	0.0003668	Pa×s	445.33	Joback Calculated Property
η	0.0002780	Pa×s	480.44	Joback Calculated Property
η	0.0002187	Pa×s	515.54	Joback Calculated Property
η	0.0001775	Pa×s	550.64	Joback Calculated Property
η	0.0001477	Pa×s	585.74	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Benzaldehyde, 3,4,5-trimethoxy-.

Sources

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

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