Chemical Properties of Benzenemethanol, 3,4-dimethoxy- (CAS 93-03-8)

InChI

InChI=1S/C9H12O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5,10H,6H2,1-2H3

InChI Key

OEGPRYNGFWGMMV-UHFFFAOYSA-N

Formula

C9H12O3

SMILES

COc1ccc(CO)cc1OC

Molecular Weight¹

168.19

CAS

93-03-8

Other Names

• Veratryl alcohol
• 3,4-Dimethoxybenzyl alcohol
• 3,4-Dimethoxyphenylmethyl alcohol
• 3,4-Dimethoxybenzenemethanol
• NSC 6317
• (3,4-Dimethoxyphenyl)methanol

• 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°	-228.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-432.17	kJ/mol	Joback Calculated Property
ΔfusH°	18.79	kJ/mol	Joback Calculated Property
ΔvapH°	60.73	kJ/mol	Joback Calculated Property
log10WS	-1.85		Crippen Calculated Property
logPoct/wat	1.196		Crippen Calculated Property
McVol	131.520	ml/mol	McGowan Calculated Property
Pc	3368.44	kPa	Joback Calculated Property
Inp	[1449.00; 1506.20]
Inp	1456.30		NIST
Inp	1506.20		NIST
Inp	1449.00		NIST
Inp	1450.00		NIST
Inp	1506.20		NIST
Inp	1456.30		NIST
Inp	1449.00		NIST
I	[2669.00; 2669.00]
I	2669.00		NIST
I	2669.00		NIST
Tboil	578.98	K	Joback Calculated Property
Tc	772.90	K	Joback Calculated Property
Tfus	347.93	K	Joback Calculated Property
Vc	0.486	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[311.96; 369.75]	J/mol×K	[578.98; 772.90]
Cp,gas	311.96	J/mol×K	578.98	Joback Calculated Property
Cp,gas	322.78	J/mol×K	611.30	Joback Calculated Property
Cp,gas	333.13	J/mol×K	643.62	Joback Calculated Property
Cp,gas	343.01	J/mol×K	675.94	Joback Calculated Property
Cp,gas	352.41	J/mol×K	708.26	Joback Calculated Property
Cp,gas	361.32	J/mol×K	740.58	Joback Calculated Property
Cp,gas	369.75	J/mol×K	772.90	Joback Calculated Property
η	[0.0000650; 0.0021561]	Pa×s	[347.93; 578.98]
η	0.0021561	Pa×s	347.93	Joback Calculated Property
η	0.0008995	Pa×s	386.44	Joback Calculated Property
η	0.0004397	Pa×s	424.95	Joback Calculated Property
η	0.0002420	Pa×s	463.46	Joback Calculated Property
η	0.0001460	Pa×s	501.96	Joback Calculated Property
η	0.0000947	Pa×s	540.47	Joback Calculated Property
η	0.0000650	Pa×s	578.98	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[445.20; 569.70]	K	[1.60; 97.60]
Tboilr	445.20	K	1.60	NIST
Tboilr	569.70	K	97.60	NIST

Similar Compounds

Find more compounds similar to Benzenemethanol, 3,4-dimethoxy-.

Sources

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

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