Chemical Properties of 1,2-PROPANEDIOL, 3-(4-CHLOROPHENOXY)-

InChI

InChI=1S/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2

InChI Key

MXOAEAUPQDYUQM-UHFFFAOYSA-N

Formula

C9H11ClO3

SMILES

OCC(O)COc1ccc(Cl)cc1

Molecular Weight¹

202.64

Other Names

• 1,2-Propanediol, 3-(p-chlorophenoxy)-
• 3-(4-Chlorophenoxy)-1,2-propanediol
• 3-(p-Chlorophenoxy)-1,2-propanediol
• 3-(p-Chlorophenoxy)propane-1,2-diol
• Adermykon
• Chlorophenesin
• Chlorphenesin
• Demykon
• Gechophen
• Gecophen
• Glycerol «alpha»-p-chlorophenyl ether
• Mycil
• NSC 6401
• p-Chlorophenyl glyceryl ether
• p-Chlorophenyl-«alpha»-glyceryl ether

• 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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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 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	[195.20; 426.73]	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			2.23920e+01
Coefficient B			7.37900e-01
Coefficient C			-4.03360e-04
Coefficient D			6.98000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.20	J/mol×K	273.00	Calculated Property
Cp,gas	236.05	J/mol×K	353.78	Calculated Property
Cp,gas	272.61	J/mol×K	434.56	Calculated Property
Cp,gas	305.09	J/mol×K	515.33	Calculated Property
Cp,gas	333.71	J/mol×K	596.11	Calculated Property
Cp,gas	358.70	J/mol×K	676.89	Calculated Property
Cp,gas	380.28	J/mol×K	757.67	Calculated Property
Cp,gas	398.66	J/mol×K	838.44	Calculated Property
Cp,gas	414.07	J/mol×K	919.22	Calculated Property
Cp,gas	426.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0116159; 0.0000316]	Pa×s	[352.15; 610.97]	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			-1.83996e+01
Coefficient B			4.91045e+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.			352.15
Temperature range, max.			610.97
η	0.0116159	Pa×s	352.15	Calculated Property
η	0.0040536	Pa×s	380.91	Calculated Property
η	0.0016399	Pa×s	409.67	Calculated Property
η	0.0007471	Pa×s	438.42	Calculated Property
η	0.0003749	Pa×s	467.18	Calculated Property
η	0.0002038	Pa×s	495.94	Calculated Property
η	0.0001185	Pa×s	524.70	Calculated Property
η	0.0000728	Pa×s	553.46	Calculated Property
η	0.0000470	Pa×s	582.22	Calculated Property
η	0.0000316	Pa×s	610.97	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-PROPANEDIOL, 3-(4-CHLOROPHENOXY)-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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