Chemical Properties of 1,2,3-Trimethoxybenzene (CAS 634-36-6)

InChI

InChI=1S/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3

InChI Key

CRUILBNAQILVHZ-UHFFFAOYSA-N

Formula

C9H12O3

SMILES

COc1cccc(OC)c1OC

Molecular Weight¹

168.19

CAS

634-36-6

Other Names

• Methylsyringol
• Pyrogallol trimethyl ether
• Tri-O-methylpyrogallol
• Benzene, 1,2,3-trimethoxy-
• 1,2,3-Trimethoxybenzene (methylsyringol)

• 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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
ΔfG°	-196.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-412.16	kJ/mol	Joback Calculated Property
ΔfusH°	15.89	kJ/mol	Joback Calculated Property
ΔsubH°	98.00 ± 0.30	kJ/mol	NIST
ΔvapH°	46.46	kJ/mol	Joback Calculated Property
IE	8.20 ± 0.15	eV	NIST
log10WS	-1.83		Crippen Calculated Property
logPoct/wat	1.712		Crippen Calculated Property
McVol	131.520	ml/mol	McGowan Calculated Property
Pc	2979.54	kPa	Joback Calculated Property
Inp	[1309.00; 1317.00]
Inp	1309.00		NIST
Inp	1315.10		NIST
Inp	1309.00		NIST
Inp	1317.00		NIST
Inp	1315.00		NIST
I	[1955.00; 1987.00]
I	1955.00		NIST
I	1971.00		NIST
I	1987.00		NIST
I	1955.00		NIST
Tboil	[514.15; 514.20]	K
Tboil	514.20	K	NIST
Tboil	514.15 ± 1.00	K	NIST
Tc	714.26	K	Joback Calculated Property
Tfus	309.34	K	Joback Calculated Property
Vc	0.485	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[285.91; 353.50]	J/mol×K	[509.22; 714.26]
Cp,gas	285.91	J/mol×K	509.22	Joback Calculated Property
Cp,gas	298.31	J/mol×K	543.39	Joback Calculated Property
Cp,gas	310.28	J/mol×K	577.57	Joback Calculated Property
Cp,gas	321.81	J/mol×K	611.74	Joback Calculated Property
Cp,gas	332.87	J/mol×K	645.92	Joback Calculated Property
Cp,gas	343.44	J/mol×K	680.09	Joback Calculated Property
Cp,gas	353.50	J/mol×K	714.26	Joback Calculated Property
η	[0.0001358; 0.0008604]	Pa×s	[309.34; 509.22]
η	0.0008604	Pa×s	309.34	Joback Calculated Property
η	0.0005446	Pa×s	342.65	Joback Calculated Property
η	0.0003738	Pa×s	375.97	Joback Calculated Property
η	0.0002728	Pa×s	409.28	Joback Calculated Property
η	0.0002088	Pa×s	442.59	Joback Calculated Property
η	0.0001658	Pa×s	475.91	Joback Calculated Property
η	0.0001358	Pa×s	509.22	Joback Calculated Property
ΔsubH	113.40 ± 0.30	kJ/mol	375.00	NIST

Similar Compounds

Find more compounds similar to 1,2,3-Trimethoxybenzene.

Sources

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

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