Chemical Properties of 2,3-Butanediol, bis(alpha,alpha-di-chloropropionate)

InChI

InChI=1S/C10H14Cl4O4/c1-5(17-7(15)9(3,11)12)6(2)18-8(16)10(4,13)14/h5-6H,1-4H3

InChI Key

PTNMCSYWAFVACY-UHFFFAOYSA-N

Formula

C10H14Cl4O4

SMILES

CC(OC(=O)C(C)(Cl)Cl)C(C)OC(=O)C(C)(Cl)Cl

Molecular Weight¹

340.03

• 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).
• 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	[300.36; 588.55]	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			4.38700e+01
Coefficient B			1.13488e+00
Coefficient C			-7.62600e-04
Coefficient D			1.72400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	300.36	J/mol×K	273.00	Calculated Property
Cp,gas	357.55	J/mol×K	353.78	Calculated Property
Cp,gas	407.18	J/mol×K	434.56	Calculated Property
Cp,gas	449.78	J/mol×K	515.33	Calculated Property
Cp,gas	485.91	J/mol×K	596.11	Calculated Property
Cp,gas	516.12	J/mol×K	676.89	Calculated Property
Cp,gas	540.94	J/mol×K	757.67	Calculated Property
Cp,gas	560.92	J/mol×K	838.44	Calculated Property
Cp,gas	576.61	J/mol×K	919.22	Calculated Property
Cp,gas	588.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028185; 0.0000925]	Pa×s	[381.64; 634.31]	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			-1.44490e+01
Coefficient B			3.27348e+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.			381.64
Temperature range, max.			634.31
η	0.0028185	Pa×s	381.64	Calculated Property
η	0.0015659	Pa×s	409.71	Calculated Property
η	0.0009381	Pa×s	437.79	Calculated Property
η	0.0005978	Pa×s	465.86	Calculated Property
η	0.0004010	Pa×s	493.94	Calculated Property
η	0.0002807	Pa×s	522.01	Calculated Property
η	0.0002038	Pa×s	550.09	Calculated Property
η	0.0001527	Pa×s	578.16	Calculated Property
η	0.0001175	Pa×s	606.24	Calculated Property
η	0.0000925	Pa×s	634.31	Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Butanediol, bis(alpha,alpha-di-chloropropionate).

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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