Chemical Properties of Benzene, 4-chloro-1-(dimethoxymethyl)- (CAS 3395-81-1)

InChI

InChI=1S/C9H11ClO2/c1-11-9(12-2)7-3-5-8(10)6-4-7/h3-6,9H,1-2H3

InChI Key

YRNBYTFFWMWTGG-UHFFFAOYSA-N

Formula

C9H11ClO2

SMILES

COC(OC)c1ccc(Cl)cc1

Molecular Weight¹

186.63

CAS

3395-81-1

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[185.60; 407.89]	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			3.73100e+01
Coefficient B			6.06740e-01
Coefficient C			-2.31560e-04
Coefficient D			-4.60000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	185.60	J/mol×K	273.00	Calculated Property
Cp,gas	222.78	J/mol×K	353.78	Calculated Property
Cp,gas	256.87	J/mol×K	434.56	Calculated Property
Cp,gas	287.86	J/mol×K	515.33	Calculated Property
Cp,gas	315.74	J/mol×K	596.11	Calculated Property
Cp,gas	340.48	J/mol×K	676.89	Calculated Property
Cp,gas	362.09	J/mol×K	757.67	Calculated Property
Cp,gas	380.53	J/mol×K	838.44	Calculated Property
Cp,gas	395.80	J/mol×K	919.22	Calculated Property
Cp,gas	407.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018544; 0.0001672]	Pa×s	[289.51; 514.37]	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			-1.17938e+01
Coefficient B			1.59336e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			289.51
Temperature range, max.			514.37
η	0.0018544	Pa×s	289.51	Calculated Property
η	0.0011976	Pa×s	314.49	Calculated Property
η	0.0008249	Pa×s	339.48	Calculated Property
η	0.0005979	Pa×s	364.46	Calculated Property
η	0.0004517	Pa×s	389.45	Calculated Property
η	0.0003530	Pa×s	414.43	Calculated Property
η	0.0002837	Pa×s	439.42	Calculated Property
η	0.0002334	Pa×s	464.40	Calculated Property
η	0.0001959	Pa×s	489.38	Calculated Property
η	0.0001672	Pa×s	514.37	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 4-chloro-1-(dimethoxymethyl)-.

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

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