Chemical Properties of PROPANE, 3-CHLORO-1,1-DIMETHOXY-

InChI

InChI=1S/C5H11ClO2/c1-7-5(8-2)3-4-6/h5H,3-4H2,1-2H3

InChI Key

DXWRNRRBDAQWDB-UHFFFAOYSA-N

Formula

C5H11ClO2

SMILES

COC(CCCl)OC

Molecular Weight¹

138.59

• 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_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).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[324.20; 359.20]	K	[2.50; 13.30]
Tboilr	324.20	K	2.50	NIST
Tboilr	359.20	K	13.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[155.45; 323.09]	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			6.05520e+01
Coefficient B			3.65140e-01
Coefficient C			-4.98000e-05
Coefficient D			-5.28000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	155.45	J/mol×K	273.00	Calculated Property
Cp,gas	181.16	J/mol×K	353.78	Calculated Property
Cp,gas	205.49	J/mol×K	434.56	Calculated Property
Cp,gas	228.27	J/mol×K	515.33	Calculated Property
Cp,gas	249.34	J/mol×K	596.11	Calculated Property
Cp,gas	268.52	J/mol×K	676.89	Calculated Property
Cp,gas	285.65	J/mol×K	757.67	Calculated Property
Cp,gas	300.57	J/mol×K	838.44	Calculated Property
Cp,gas	313.11	J/mol×K	919.22	Calculated Property
Cp,gas	323.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040967; 0.0002181]	Pa×s	[205.49; 401.53]	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			-1.15055e+01
Coefficient B			1.23456e+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.			205.49
Temperature range, max.			401.53
η	0.0040967	Pa×s	205.49	Calculated Property
η	0.0023034	Pa×s	227.27	Calculated Property
η	0.0014323	Pa×s	249.05	Calculated Property
η	0.0009614	Pa×s	270.84	Calculated Property
η	0.0006848	Pa×s	292.62	Calculated Property
η	0.0005112	Pa×s	314.40	Calculated Property
η	0.0003964	Pa×s	336.18	Calculated Property
η	0.0003170	Pa×s	357.96	Calculated Property
η	0.0002601	Pa×s	379.74	Calculated Property
η	0.0002181	Pa×s	401.53	Calculated Property

Similar Compounds

Find more compounds similar to PROPANE, 3-CHLORO-1,1-DIMETHOXY-.

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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