Chemical Properties of 1,2-Benzenediol, 3-methoxy- (CAS 934-00-9)

InChI

InChI=1S/C7H8O3/c1-10-6-4-2-3-5(8)7(6)9/h2-4,8-9H,1H3

InChI Key

LPYUENQFPVNPHY-UHFFFAOYSA-N

Formula

C7H8O3

SMILES

COc1cccc(O)c1O

Molecular Weight¹

140.14

CAS

934-00-9

Other Names

• Pyrocatechol, 3-methoxy-
• Pyrogallol 1-methyl ether
• Pyrogallol 1-monomethyl ether
• 1,2-Dihydroxy-3-methoxybenzene
• 2,3-Dihydroxyanisole
• 3-Methoxy-1,2-benzenediol
• 3-Methoxycatechol
• 3-Methoxypyrocatechol
• 1-O-Methylpyrogallol
• 3-Methoxy-o-hydroquinone
• 6-Methoxycatechol
• NSC 66525
• 3-Methoxy-1,2-benzenediol (3-methoxypyrocatechol)

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase 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_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.
• 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
ΔcH°solid	-3387.70 ± 0.70	kJ/mol	NIST
ΔfG°	-293.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-418.50 ± 1.40	kJ/mol	NIST
ΔfH°solid	-510.20 ± 1.20	kJ/mol	NIST
ΔfusH°	20.68	kJ/mol	Joback Calculated Property
ΔsubH°	[91.70; 91.70]	kJ/mol
ΔsubH°	91.70 ± 0.80	kJ/mol	NIST
ΔsubH°	91.70	kJ/mol	NIST
ΔvapH°	91.70 ± 0.80	kJ/mol	NIST
log10WS	-0.69		Crippen Calculated Property
logPoct/wat	1.106		Crippen Calculated Property
McVol	103.340	ml/mol	McGowan Calculated Property
Pc	6122.63	kPa	Joback Calculated Property
Inp	[1268.20; 1272.00]
Inp	1269.80		NIST
Inp	1268.20		NIST
Inp	1272.00		NIST
Tboil	569.90	K	Joback Calculated Property
Tc	809.70	K	Joback Calculated Property
Tfus	440.74	K	Joback Calculated Property
Vc	0.270	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[247.31; 293.27]	J/mol×K	[569.90; 809.70]
Cp,gas	247.31	J/mol×K	569.90	Joback Calculated Property
Cp,gas	256.37	J/mol×K	609.87	Joback Calculated Property
Cp,gas	264.71	J/mol×K	649.83	Joback Calculated Property
Cp,gas	272.46	J/mol×K	689.80	Joback Calculated Property
Cp,gas	279.72	J/mol×K	729.77	Joback Calculated Property
Cp,gas	286.62	J/mol×K	769.73	Joback Calculated Property
Cp,gas	293.27	J/mol×K	809.70	Joback Calculated Property
η	[0.0000094; 0.0002233]	Pa×s	[440.74; 569.90]
η	0.0002233	Pa×s	440.74	Joback Calculated Property
η	0.0001166	Pa×s	462.27	Joback Calculated Property
η	0.0000645	Pa×s	483.79	Joback Calculated Property
η	0.0000375	Pa×s	505.32	Joback Calculated Property
η	0.0000228	Pa×s	526.85	Joback Calculated Property
η	0.0000144	Pa×s	548.37	Joback Calculated Property
η	0.0000094	Pa×s	569.90	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[402.20; 419.70]	K	[1.30; 2.00]
Tboilr	402.20	K	1.30	NIST
Tboilr	419.70	K	2.00	NIST

Similar Compounds

Find more compounds similar to 1,2-Benzenediol, 3-methoxy-.

Sources

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

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