Chemical Properties of 1,2,4-Trimethoxybenzene (CAS 135-77-3)

InChI

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

InChI Key

AGIQIOSHSMJYJP-UHFFFAOYSA-N

Formula

C9H12O3

SMILES

COc1ccc(OC)c(OC)c1

Molecular Weight¹

168.19

CAS

135-77-3

Other Names

• Benzene, 1,2,4-trimethoxy-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-367.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.89	kJ/mol	Joback Calculated Property
ΔvapH°	73.74	kJ/mol	Relay (1.0) Calculated Property
IE	[7.49; 7.50]	eV
IE	7.49	eV	NIST
IE	7.50 ± 0.15	eV	NIST
log10WS	-2.36		Relay (1.0) Calculated Property
logPoct/wat	1.712		Crippen Calculated Property
McVol	131.520	ml/mol	McGowan Calculated Property
Inp	[1331.30; 1377.80]
Inp	1331.30		NIST
Inp	1377.80		NIST
Inp	1374.00		NIST
Inp	1374.00		NIST
I	[2094.00; 2133.00]
I	2094.00		NIST
I	2133.00		NIST
I	2095.00		NIST
Tboil	520.20	K	NIST
Tc	720.65	K	Relay (1.0) Calculated Property
Tfus	311.76	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[285.99; 353.58]	J/mol×K	[509.42; 714.55]
Cp,gas	285.99	J/mol×K	509.42	Joback Calculated Property
Cp,gas	298.39	J/mol×K	543.61	Joback Calculated Property
Cp,gas	310.36	J/mol×K	577.80	Joback Calculated Property
Cp,gas	321.89	J/mol×K	611.98	Joback Calculated Property
Cp,gas	332.95	J/mol×K	646.17	Joback Calculated Property
Cp,gas	343.52	J/mol×K	680.36	Joback Calculated Property
Cp,gas	353.58	J/mol×K	714.55	Joback Calculated Property
η	[0.0001356; 0.0008604]	Pa×s	[309.34; 509.42]
η	0.0008604	Pa×s	309.34	Joback Calculated Property
η	0.0005444	Pa×s	342.69	Joback Calculated Property
η	0.0003736	Pa×s	376.03	Joback Calculated Property
η	0.0002726	Pa×s	409.38	Joback Calculated Property
η	0.0002086	Pa×s	442.73	Joback Calculated Property
η	0.0001657	Pa×s	476.07	Joback Calculated Property
η	0.0001356	Pa×s	509.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2,4-Trimethoxybenzene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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