Chemical Properties of 1-Propanol, 2,3-dichloro, butanoate

InChI

InChI=1S/C7H12Cl2O2/c1-2-3-7(10)11-5-6(9)4-8/h6H,2-5H2,1H3

InChI Key

KKIRBVXTFOTIRJ-UHFFFAOYSA-N

Formula

C7H12Cl2O2

SMILES

CCCC(=O)OCC(Cl)CCl

Molecular Weight¹

199.07

Other Names

• 2,3-Dichloropropyl butyrate

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[196.81; 405.65]	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			4.60340e+01
Coefficient B			6.33520e-01
Coefficient C			-3.06400e-04
Coefficient D			3.25000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	196.81	J/mol×K	273.00	Calculated Property
Cp,gas	233.25	J/mol×K	353.78	Calculated Property
Cp,gas	266.14	J/mol×K	434.56	Calculated Property
Cp,gas	295.59	J/mol×K	515.33	Calculated Property
Cp,gas	321.69	J/mol×K	596.11	Calculated Property
Cp,gas	344.55	J/mol×K	676.89	Calculated Property
Cp,gas	364.28	J/mol×K	757.67	Calculated Property
Cp,gas	380.97	J/mol×K	838.44	Calculated Property
Cp,gas	394.72	J/mol×K	919.22	Calculated Property
Cp,gas	405.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0065410; 0.0002790]	Pa×s	[255.82; 477.15]	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			-1.18303e+01
Coefficient B			1.73974e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			255.82
Temperature range, max.			477.15
η	0.0065410	Pa×s	255.82	Calculated Property
η	0.0036027	Pa×s	280.41	Calculated Property
η	0.0021846	Pa×s	305.00	Calculated Property
η	0.0014274	Pa×s	329.60	Calculated Property
η	0.0009894	Pa×s	354.19	Calculated Property
η	0.0007192	Pa×s	378.78	Calculated Property
η	0.0005436	Pa×s	403.37	Calculated Property
η	0.0004243	Pa×s	427.97	Calculated Property
η	0.0003402	Pa×s	452.56	Calculated Property
η	0.0002790	Pa×s	477.15	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propanol, 2,3-dichloro, butanoate.

Sources

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

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