Chemical Properties of 2,2-Propanediol, 1,3-dichloro- (CAS 82598-72-9)

InChI

InChI=1S/C3H6Cl2O2/c4-1-3(6,7)2-5/h6-7H,1-2H2

InChI Key

BJCFYPFSEIJWLQ-UHFFFAOYSA-N

Formula

C3H6Cl2O2

SMILES

OC(O)(CCl)CCl

Molecular Weight¹

144.99

CAS

82598-72-9

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[119.48; 229.45]	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			1.20520e+01
Coefficient B			4.96200e-01
Coefficient C			-4.12800e-04
Coefficient D			1.34000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	119.48	J/mol×K	273.00	Calculated Property
Cp,gas	141.86	J/mol×K	353.78	Calculated Property
Cp,gas	160.72	J/mol×K	434.56	Calculated Property
Cp,gas	176.47	J/mol×K	515.33	Calculated Property
Cp,gas	189.54	J/mol×K	596.11	Calculated Property
Cp,gas	200.35	J/mol×K	676.89	Calculated Property
Cp,gas	209.32	J/mol×K	757.67	Calculated Property
Cp,gas	216.88	J/mol×K	838.44	Calculated Property
Cp,gas	223.45	J/mol×K	919.22	Calculated Property
Cp,gas	229.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0474602; 0.0001676]	Pa×s	[307.47; 492.86]	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			-1.80584e+01
Coefficient B			4.61528e+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.			307.47
Temperature range, max.			492.86
η	0.0474602	Pa×s	307.47	Calculated Property
η	0.0184932	Pa×s	328.07	Calculated Property
η	0.0080549	Pa×s	348.67	Calculated Property
η	0.0038492	Pa×s	369.27	Calculated Property
η	0.0019887	Pa×s	389.87	Calculated Property
η	0.0010979	Pa×s	410.46	Calculated Property
η	0.0006415	Pa×s	431.06	Calculated Property
η	0.0003937	Pa×s	451.66	Calculated Property
η	0.0002521	Pa×s	472.26	Calculated Property
η	0.0001676	Pa×s	492.86	Calculated Property

Similar Compounds

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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.