Chemical Properties of Mephenesin (CAS 59-47-2)

InChI

InChI=1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3

InChI Key

JWDYCNIAQWPBHD-UHFFFAOYSA-N

Formula

C10H14O3

SMILES

Cc1ccccc1OCC(O)CO

Molecular Weight¹

182.22

CAS

59-47-2

Other Names

• (+/-)-Mephenesin
• 1,2-Dihydroxy-3-(2-methylphenoxy)propane
• 1,2-Propanediol, 3-(2-methylphenoxy)-
• 1,2-Propanediol, 3-(o-tolyloxy)-
• 1-Ortho-tolylglycerol ether
• 1-o-Tolylglycerol ether
• 3-(2-Methylphenoxy)propane-1,2-diol
• 3-(2-Tolyloxy)-1,2-propanediol
• 3-(2-methylphenoxy)-1,2-propanediol
• 3-(o-Methylphenoxy)-1,2-propanediol
• 3-(o-Tolyloxy)-1,2-propanediol
• 3-(o-Tolyloxy)propane-1,2-diol
• 3-o-Toloxy-1,2-propanediol
• A 1141
• Ageflex CGE
• Anatensin
• Anxine
• Atensin
• Avesyl
• Avosyl
• Avoxil
• Avoxyl
• BDH 312
• BYK-M 1
• Cresodiol
• Cresossidiolo
• Cresossipropandiolo
• Cresoxydiol
• Cresoxypropanediol
• Curaril
• Curarythan
• Curythan
• Daserd
• Daserol
• Decontractil
• Decontractyl
• Diloxol
• Dioloxal
• Dioloxol
• Findolar
• Findolor
• Glukresin
• Glyceryl o-Tolyl ether
• Glykresin
• Glyotol
• Glytol
• Halabar
• Kinavosyl
• Kresoxypropandiol
• Lissenphan
• Lissephen
• Mc 2303
• Mefenesina
• Mefensina
• Memphenesin
• Mephate
• Mephedan
• Mephelor
• Mephenesine
• Mepherol
• Mephesin
• Mephin
• Mephosal
• Mephson
• Mervaldin
• Mianesina
• Miolisina
• Moctynol
• Myanesin
• Myanil
• Myanol
• Myasin
• Myastenin
• Mycocuran
• Myocaine
• Myocuran
• Myodetensin
• Myodetensine
• Myolax
• Myolysin
• Myopan
• Myopen
• Myopna
• Myosera
• Myoserol
• Myoten
• Myoxane
• Myoxyl
• Nembusen
• Nephelor
• Noctynol
• Oranixon
• Oronixon
• Ortol
• Prolax
• Prolaxin
• Proloxin
• RP 3602
• Relaxant
• Relaxar
• Relaxil
• Relaxyl
• Renarcol
• Rex regulans
• Rhex
• Rhex 'hobeino'
• Rhex regulans
• SQ 1156
• Sansdolor
• Saserol
• Seconesinz
• Sinan
• Spartoloxin
• Spartoloxyn
• Spasmolyn
• Stilalgin
• Temian
• Thioxidil
• Thoxidil
• Tokerol
• Tolansin
• Tolax
• Tolbart
• Tolcil
• Tolhart
• Tolofren
• Tolosate
• Toloxyn
• Tolserol
• Tolseron
• Tolsil
• Tolsin
• Tolulexin
• Tolulox
• Tolydrin
• Tolynol
• Tolyspaz
• Torulox
• Vitamisin
• Vitascorbol
• Walconesin
• Walko-Nesin
• Xeral
• Xitix
• component of Tolagesic
• mephensin
• o-Cresol glyceryl ether
• o-Cresyl glycerol ether
• o-Cresyl «alpha»-glyceryl ether
• o-Kresol-glycerinaether
• «alpha»,«beta»-Dihydroxy-«gamma»-(2-methylphenoxy)propane
• «alpha»-(o-Tolyl)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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	29.80	kJ/mol	Study of Glass Transition Phenomena in the Supercooled Liquid Phase of Methocarbamol, Acetaminophen and Mephensin
IE	8.64	eV	Relay (1.0) Calculated Property
log10WS	-1.19		Aq. Solubility Prediction
logPoct/wat	0.727		Crippen Calculated Property
McVol	145.610	ml/mol	McGowan Calculated Property
Inp	[1518.00; 1586.10]
Inp	1533.00		NIST
Inp	1531.00		NIST
Inp	1518.00		NIST
Inp	1540.00		NIST
Inp	1586.10		NIST
Inp	1545.00		NIST
Inp	1568.00		NIST
Inp	1518.00		NIST
Tboil	593.10	K	Relay (1.0) Calculated Property
Tc	811.58	K	Relay (1.0) Calculated Property
Tfus	331.85	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[203.01; 470.05]	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			8.59200e+00
Coefficient B			8.26120e-01
Coefficient C			-4.37360e-04
Coefficient D			7.27000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	203.01	J/mol×K	273.00	Calculated Property
Cp,gas	249.33	J/mol×K	353.78	Calculated Property
Cp,gas	290.96	J/mol×K	434.56	Calculated Property
Cp,gas	328.12	J/mol×K	515.33	Calculated Property
Cp,gas	361.04	J/mol×K	596.11	Calculated Property
Cp,gas	389.94	J/mol×K	676.89	Calculated Property
Cp,gas	415.07	J/mol×K	757.67	Calculated Property
Cp,gas	436.64	J/mol×K	838.44	Calculated Property
Cp,gas	454.89	J/mol×K	919.22	Calculated Property
Cp,gas	470.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047133; 0.0000332]	Pa×s	[370.27; 596.87]	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			-1.84108e+01
Coefficient B			4.83329e+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.			370.27
Temperature range, max.			596.87
η	0.0047133	Pa×s	370.27	Calculated Property
η	0.0020529	Pa×s	395.45	Calculated Property
η	0.0009877	Pa×s	420.63	Calculated Property
η	0.0005162	Pa×s	445.80	Calculated Property
η	0.0002891	Pa×s	470.98	Calculated Property
η	0.0001718	Pa×s	496.16	Calculated Property
η	0.0001073	Pa×s	521.34	Calculated Property
η	0.0000700	Pa×s	546.52	Calculated Property
η	0.0000474	Pa×s	571.70	Calculated Property
η	0.0000332	Pa×s	596.87	Calculated Property

Similar Compounds

Find more compounds similar to Mephenesin.

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
• Study of Glass Transition Phenomena in the Supercooled Liquid Phase of Methocarbamol, Acetaminophen and Mephensin
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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