Chemical Properties of Benzene, 1,3,5-trimethoxy- (CAS 621-23-8)

InChI

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

InChI Key

LKUDPHPHKOZXCD-UHFFFAOYSA-N

Formula

C9H12O3

SMILES

COc1cc(OC)cc(OC)c1

Molecular Weight¹

168.19

CAS

621-23-8

Other Names

• 1,3,5-Trimethoxybenzene
• 1,3,5-Trimethyoxybenzene
• O,O,O-1,3,5-trimethylresorcinol
• Phloroglucinol trimethyl ether

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (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_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
PAff	926.70	kJ/mol	NIST
BasG	898.20	kJ/mol	NIST
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°	100.60 ± 1.90	kJ/mol	NIST
ΔvapH°	68.20 ± 2.00	kJ/mol	NIST
IE	7.96	eV	NIST
log10WS	-2.68		Aq. Sol...
logPoct/wat	1.712		Crippen Calculated Property
McVol	131.520	ml/mol	McGowan Calculated Property
Pc	2979.54	kPa	Joback Calculated Property
Inp	[1405.00; 1418.30]
Inp	1405.00		NIST
Inp	1418.30		NIST
Inp	1418.30		NIST
I	[2172.00; 2172.00]
I	2172.00		NIST
I	2172.00		NIST
Tboil	528.70	K	NIST
Tc	714.26	K	Joback Calculated Property
Tfus	326.32	K	Aq. Sol...
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	116.00 ± 1.90	kJ/mol	375.00	NIST

Similar Compounds

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

Mixtures

• Benzene, 1,3,5-trimethoxy- + Ethanol + Water

Sources

• Crippen Method
• Construction of solid liquid phase diagrams in ternary systems by titration calorimetry
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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