Chemical Properties of Benzene, 1,2,3-trimethoxy-5-methyl- (CAS 6443-69-2)

InChI

InChI=1S/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H3

InChI Key

KCIZTNZGSBSSRM-UHFFFAOYSA-N

Formula

C10H14O3

SMILES

COc1cc(C)cc(OC)c1OC

Molecular Weight¹

182.22

CAS

6443-69-2

Other Names

• Toluene, 3,4,5-trimethoxy-
• 1,2,3-Trimethoxy-5-methylbenzene
• 3,4,5-Trimethoxytoluene
• 5-Methyl-1,2,3-trimethoxybenzene
• Benzene, 5-methyl-1,2,3-trimethoxy

• 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°	-198.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-444.27	kJ/mol	Joback Calculated Property
ΔfusH°	18.09	kJ/mol	Joback Calculated Property
ΔvapH°	49.35	kJ/mol	Joback Calculated Property
log10WS	-2.31		Crippen Calculated Property
logPoct/wat	2.021		Crippen Calculated Property
McVol	145.610	ml/mol	McGowan Calculated Property
Pc	2648.83	kPa	Joback Calculated Property
Inp	[1400.00; 1435.00]
Inp	1419.00		NIST
Inp	1400.00		NIST
Inp	1400.00		NIST
Inp	1410.00		NIST
Inp	1421.00		NIST
Inp	1400.00		NIST
Inp	Outlier 1435.00		NIST
Inp	1408.00		NIST
Inp	1407.00		NIST
I	[2041.00; 2041.00]
I	2041.00		NIST
I	2041.00		NIST
I	2041.00		NIST
Tboil	537.08	K	Joback Calculated Property
Tc	740.25	K	Joback Calculated Property
Tfus	333.13	K	Joback Calculated Property
Vc	0.541	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[330.15; 402.12]	J/mol×K	[537.08; 740.25]
Cp,gas	330.15	J/mol×K	537.08	Joback Calculated Property
Cp,gas	343.37	J/mol×K	570.94	Joback Calculated Property
Cp,gas	356.13	J/mol×K	604.80	Joback Calculated Property
Cp,gas	368.41	J/mol×K	638.66	Joback Calculated Property
Cp,gas	380.18	J/mol×K	672.52	Joback Calculated Property
Cp,gas	391.43	J/mol×K	706.39	Joback Calculated Property
Cp,gas	402.12	J/mol×K	740.25	Joback Calculated Property
η	[0.0001237; 0.0006822]	Pa×s	[333.13; 537.08]
η	0.0006822	Pa×s	333.13	Joback Calculated Property
η	0.0004499	Pa×s	367.12	Joback Calculated Property
η	0.0003184	Pa×s	401.11	Joback Calculated Property
η	0.0002378	Pa×s	435.10	Joback Calculated Property
η	0.0001853	Pa×s	469.10	Joback Calculated Property
η	0.0001493	Pa×s	503.09	Joback Calculated Property
η	0.0001237	Pa×s	537.08	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Benzene, 1,2,3-trimethoxy-5-methyl-.

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.