Chemical Properties of Carbonochloridic acid, 3-chloropropyl ester

InChI

InChI=1S/C4H6Cl2O2/c5-2-1-3-8-4(6)7/h1-3H2

InChI Key

MTXMEFUEBCFWCY-UHFFFAOYSA-N

Formula

C4H6Cl2O2

SMILES

O=C(Cl)OCCCCl

Molecular Weight¹

157.00

Other Names

• Formic acid, chloro-, 3-chloropropyl ester
• (3-Chloropropoxy)carbonyl chloride
• 3-Chloropropyl chloroformate
• 3-Chloropropyl chloridocarbonate

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[133.48; 250.34]	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			5.04430e+01
Coefficient B			3.42600e-01
Coefficient C			-1.40000e-04
Coefficient D			-2.70000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	133.48	J/mol×K	273.00	Calculated Property
Cp,gas	154.01	J/mol×K	353.78	Calculated Property
Cp,gas	172.66	J/mol×K	434.56	Calculated Property
Cp,gas	189.45	J/mol×K	515.33	Calculated Property
Cp,gas	204.35	J/mol×K	596.11	Calculated Property
Cp,gas	217.36	J/mol×K	676.89	Calculated Property
Cp,gas	228.48	J/mol×K	757.67	Calculated Property
Cp,gas	237.68	J/mol×K	838.44	Calculated Property
Cp,gas	244.98	J/mol×K	919.22	Calculated Property
Cp,gas	250.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047584; 0.0003222]	Pa×s	[237.01; 430.62]	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			-1.13368e+01
Coefficient B			1.41944e+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.			237.01
Temperature range, max.			430.62
η	0.0047584	Pa×s	237.01	Calculated Property
η	0.0028909	Pa×s	258.52	Calculated Property
η	0.0018961	Pa×s	280.03	Calculated Property
η	0.0013207	Pa×s	301.55	Calculated Property
η	0.0009654	Pa×s	323.06	Calculated Property
η	0.0007338	Pa×s	344.57	Calculated Property
η	0.0005760	Pa×s	366.08	Calculated Property
η	0.0004645	Pa×s	387.59	Calculated Property
η	0.0003831	Pa×s	409.10	Calculated Property
η	0.0003222	Pa×s	430.62	Calculated Property

Similar Compounds

Find more compounds similar to Carbonochloridic acid, 3-chloropropyl ester.

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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