Chemical Properties of 1,4-dimethoxybenzene (CAS 150-78-7)

InChI

InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3

InChI Key

OHBQPCCCRFSCAX-UHFFFAOYSA-N

Formula

C8H10O2

SMILES

COc1ccc(OC)cc1

Molecular Weight¹

138.16

CAS

150-78-7

Other Names

• Benzene, 1,4-dimethoxy-

• 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_boilr : Boiling point at reduced pressure (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	-219.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.50	kJ/mol	Joback Calculated Property
ΔsubH°	84.10 ± 2.30	kJ/mol	NIST
ΔvapH°	60.28	kJ/mol	Relay (1.0) Calculated Property
IE	[7.45; 7.96]	eV
IE	7.56 ± 0.11	eV	NIST
IE	7.78 ± 0.03	eV	NIST
IE	7.53 ± 0.03	eV	NIST
IE	7.54	eV	NIST
IE	7.45	eV	NIST
IE	7.90 ± 0.10	eV	NIST
IE	7.70 ± 0.15	eV	NIST
IE	7.90	eV	NIST
IE	7.96	eV	NIST
IE	7.90	eV	NIST
IE	7.83 ± 0.01	eV	NIST
IE	7.90	eV	NIST
IE	7.90	eV	NIST
log10WS	-2.62		Relay (1.0) Calculated Property
logPoct/wat	1.704		Crippen Calculated Property
McVol	111.560	ml/mol	McGowan Calculated Property
Pc	3443.98	kPa	Joback Calculated Property
Inp	[1122.00; 1192.00]
Inp	1143.40		NIST
Inp	1143.00		NIST
Inp	1159.00		NIST
Inp	1170.00		NIST
Inp	1163.00		NIST
Inp	1165.21		NIST
Inp	1167.74		NIST
Inp	1180.10		NIST
Inp	1177.00		NIST
Inp	1185.00		NIST
Inp	1175.00		NIST
Inp	1165.00		NIST
Inp	1168.00		NIST
Inp	1158.00		NIST
Inp	1128.00		NIST
Inp	1130.00		NIST
Inp	1130.00		NIST
Inp	1132.00		NIST
Inp	1122.00		NIST
Inp	1171.00		NIST
Inp	1122.00		NIST
Inp	1131.00		NIST
Inp	1172.00		NIST
Inp	1186.00		NIST
Inp	1145.00		NIST
Inp	1192.00		NIST
Inp	1145.00		NIST
Inp	1185.00		NIST
Inp	1128.00		NIST
Inp	1171.00		NIST
Inp	1143.40		NIST
Inp	1170.00		NIST
Inp	1180.10		NIST
I	[1727.00; 1759.00]
I	1727.00		NIST
I	1752.00		NIST
I	1728.00		NIST
I	1747.00		NIST
I	1759.00		NIST
I	1747.00		NIST
I	1750.00		NIST
I	1757.00		NIST
Tboil	[485.80; 485.80]	K
Tboil	485.80	K	NIST
Tboil	485.80 ± 1.50	K	NIST
Tc	681.33	K	Relay (1.0) Calculated Property
Tfus	[329.00; 329.45]	K
Tfus	329.00 ± 3.00	K	NIST
Tfus	329.45 ± 0.60	K	NIST

Cheméo can also estimate 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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[151.29; 347.49]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.70100e+01
Coefficient B			4.99040e-01
Coefficient C			-1.53560e-04
Coefficient D			-2.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	151.29	J/mol×K	273.00	Calculated Property
Cp,gas	183.23	J/mol×K	353.78	Calculated Property
Cp,gas	212.82	J/mol×K	434.56	Calculated Property
Cp,gas	239.98	J/mol×K	515.33	Calculated Property
Cp,gas	264.63	J/mol×K	596.11	Calculated Property
Cp,gas	286.69	J/mol×K	676.89	Calculated Property
Cp,gas	306.09	J/mol×K	757.67	Calculated Property
Cp,gas	322.74	J/mol×K	838.44	Calculated Property
Cp,gas	336.57	J/mol×K	919.22	Calculated Property
Cp,gas	347.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005266; 0.0001654]	Pa×s	[329.23; 467.35]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.14675e+01
Coefficient B			1.29006e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			329.23
Temperature range, max.			467.35
η	0.0005266	Pa×s	329.23	Calculated Property
η	0.0004423	Pa×s	344.57	Calculated Property
η	0.0003770	Pa×s	359.92	Calculated Property
η	0.0003256	Pa×s	375.27	Calculated Property
η	0.0002845	Pa×s	390.61	Calculated Property
η	0.0002511	Pa×s	405.96	Calculated Property
η	0.0002236	Pa×s	421.31	Calculated Property
η	0.0002008	Pa×s	436.65	Calculated Property
η	0.0001817	Pa×s	452.00	Calculated Property
η	0.0001654	Pa×s	467.35	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-dimethoxybenzene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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