Chemical Properties of 1,2-Propanediol, 3-phenoxy- (CAS 538-43-2)

InChI

InChI=1S/C9H12O3/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2

InChI Key

FNQIYTUXOKTMDM-UHFFFAOYSA-N

Formula

C9H12O3

SMILES

OCC(O)COc1ccccc1

Molecular Weight¹

168.19

CAS

538-43-2

Other Names

• 1,2-Dihydroxy-3-phenoxypropane
• 1-Fenoxy-2,3-propandiol
• 1-Phenoxy-2,3-propanediol
• 3-Phenoxy-1,2-propanediol
• 3-phenoxypropane-1,2-diol
• Antodyn
• Antodyne
• Glycerol «alpha»-monophenyl ether
• Glycerol «alpha»-phenyl ether
• NSC 406489
• Phenol glycerol ether
• Phenol glyceryl ether
• Phenol-glycerinaether
• Phenyl-«alpha»-glycerol ether
• Phenylglyceryl ether
• U 27,462
• «alpha»-Phenyl monoglyceryl ether

• 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_fusH : Enthalpy of fusion at a given temperature (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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Volume, Standard Gibbs free energy of formation 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[179.24; 421.50]	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			-4.79800e+00
Coefficient B			7.90600e-01
Coefficient C			-4.50000e-04
Coefficient D			8.57000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	179.24	J/mol×K	273.00	Calculated Property
Cp,gas	222.37	J/mol×K	353.78	Calculated Property
Cp,gas	260.82	J/mol×K	434.56	Calculated Property
Cp,gas	294.85	J/mol×K	515.33	Calculated Property
Cp,gas	324.73	J/mol×K	596.11	Calculated Property
Cp,gas	350.75	J/mol×K	676.89	Calculated Property
Cp,gas	373.16	J/mol×K	757.67	Calculated Property
Cp,gas	392.24	J/mol×K	838.44	Calculated Property
Cp,gas	408.27	J/mol×K	919.22	Calculated Property
Cp,gas	421.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0161710; 0.0000413]	Pa×s	[335.90; 577.83]	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			-1.83859e+01
Coefficient B			4.79039e+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.			335.90
Temperature range, max.			577.83
η	0.0161710	Pa×s	335.90	Calculated Property
η	0.0056208	Pa×s	362.78	Calculated Property
η	0.0022604	Pa×s	389.66	Calculated Property
η	0.0010224	Pa×s	416.54	Calculated Property
η	0.0005092	Pa×s	443.43	Calculated Property
η	0.0002746	Pa×s	470.31	Calculated Property
η	0.0001583	Pa×s	497.19	Calculated Property
η	0.0000966	Pa×s	524.07	Calculated Property
η	0.0000618	Pa×s	550.95	Calculated Property
η	0.0000413	Pa×s	577.83	Calculated Property

Similar Compounds

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

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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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