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

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

• 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[338.86; 389.39]	J/mol×K	[638.54; 825.48]
Cp,gas	338.86	J/mol×K	638.54	Joback Calculated Property
Cp,gas	348.58	J/mol×K	669.70	Joback Calculated Property
Cp,gas	357.76	J/mol×K	700.85	Joback Calculated Property
Cp,gas	366.42	J/mol×K	732.01	Joback Calculated Property
Cp,gas	374.56	J/mol×K	763.16	Joback Calculated Property
Cp,gas	382.22	J/mol×K	794.32	Joback Calculated Property
Cp,gas	389.39	J/mol×K	825.48	Joback Calculated Property
η	[0.0000188; 0.0104619]	Pa×s	[346.48; 638.54]
η	0.0104619	Pa×s	346.48	Joback Calculated Property
η	0.0019053	Pa×s	395.16	Joback Calculated Property
η	0.0005041	Pa×s	443.83	Joback Calculated Property
η	0.0001735	Pa×s	492.51	Joback Calculated Property
η	0.0000723	Pa×s	541.19	Joback Calculated Property
η	0.0000348	Pa×s	589.86	Joback Calculated Property
η	0.0000188	Pa×s	638.54	Joback Calculated Property
ΔfusH	28.00	kJ/mol	331.70	NIST

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.