Chemical Properties of 1,1,1-Trimethoxy-2-chloroethane

InChI

InChI=1S/C5H11ClO3/c1-7-5(4-6,8-2)9-3/h4H2,1-3H3

InChI Key

NPEIUNVTLXEOLT-UHFFFAOYSA-N

Formula

C5H11ClO3

SMILES

COC(CCl)(OC)OC

Molecular Weight¹

154.59

• 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_fH°_liquid : Liquid phase 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[169.71; 342.52]	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			6.32610e+01
Coefficient B			4.21860e-01
Coefficient C			-1.07400e-04
Coefficient D			-3.52000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	169.71	J/mol×K	273.00	Calculated Property
Cp,gas	197.51	J/mol×K	353.78	Calculated Property
Cp,gas	223.41	J/mol×K	434.56	Calculated Property
Cp,gas	247.32	J/mol×K	515.33	Calculated Property
Cp,gas	269.12	J/mol×K	596.11	Calculated Property
Cp,gas	288.69	J/mol×K	676.89	Calculated Property
Cp,gas	305.93	J/mol×K	757.67	Calculated Property
Cp,gas	320.72	J/mol×K	838.44	Calculated Property
Cp,gas	332.95	J/mol×K	919.22	Calculated Property
Cp,gas	342.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029645; 0.0002090]	Pa×s	[245.14; 420.44]	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			-1.21822e+01
Coefficient B			1.55937e+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.			245.14
Temperature range, max.			420.44
η	0.0029645	Pa×s	245.14	Calculated Property
η	0.0018561	Pa×s	264.62	Calculated Property
η	0.0012392	Pa×s	284.10	Calculated Property
η	0.0008713	Pa×s	303.57	Calculated Property
η	0.0006392	Pa×s	323.05	Calculated Property
η	0.0004858	Pa×s	342.53	Calculated Property
η	0.0003803	Pa×s	362.01	Calculated Property
η	0.0003052	Pa×s	381.49	Calculated Property
η	0.0002502	Pa×s	400.97	Calculated Property
η	0.0002090	Pa×s	420.44	Calculated Property

Similar Compounds

Find more compounds similar to 1,1,1-Trimethoxy-2-chloroethane.

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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