Chemical Properties of 1,2-Propanediol, 3-(2-methoxyphenoxy)-

InChI

InChI=1S/C10H14O4/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h2-5,8,11-12H,6-7H2,1H3

InChI Key

HSRJKNPTNIJEKV-UHFFFAOYSA-N

Formula

C10H14O4

SMILES

COc1ccccc1OCC(O)CO

Molecular Weight¹

198.22

Other Names

• 1,2-Dihydroxy-3-(2-methoxyphenoxy)propane
• 1,2-Propanediol, 3-(o-methoxyphenoxy)-
• 2-G
• 2/G
• 3-(2-Methoxyphenoxy)-1,2-propanediol
• 3-(o-Methoxyphenoxy)-1,2-propanediol
• 3-(o-Methoxyphenoxy)-propanediol-1,2
• 3-o-Methoxyphenoxypropane 1:2-diol
• Actifed C
• Aeronesin
• Amonidren
• Amonidrin
• Aresol
• Breonesin
• Bronchol
• Calmipan
• Colrex expectorant
• Cortussin
• Creson
• Dilyn
• Dorassin
• Equicol
• Flartussin
• G 87
• GGE
• GGG
• Gaiamar
• Glycerin guaiacolate
• Glycerin monoguaiacol ether
• Glycero-guaiacol ether
• Glycerol guaiacolate
• Glycerol mono(2-methoxyphenyl) ether
• Glycerol «alpha»-(2-methoxyphenyl) ether
• Glycerol «alpha»-(o-methoxyphenyl)ether
• Glycerol «alpha»-guaiacyl ether
• Glycerol «alpha»-guiacyl ether
• Glycerol «alpha»-monoguaiacol ether
• Glycerol, 1-(2-methoxyphenyl) ether
• Glycerol-«alpha»-guajakolether
• Glyceryl guaiacol
• Glyceryl guaiacol ether
• Glyceryl guaiacolate
• Glyceryl guaiacolate ether
• Glyceryl guaiacyl ether
• Glyceryl guaicolate
• Glyceryl guiacolate
• Glycodex
• Glycotuss
• Gnaifenesin
• Guaia-rom
• Guaiacol glycerin ether
• Guaiacol glycerol ether
• Guaiacol glyceryl ether
• Guaiacolglicerinetere
• Guaiacolic acid, ester with glycerol
• Guaiacuran
• Guaiacurane
• Guaiacyl glyceryl ether
• Guaiamar
• Guaianesin
• Guaicol glycerine ether
• Guaicol glyceryl ether
• Guaifenesine
• Guaiphenesin
• Guaiphenesine
• Guaiphesin
• Guajacol-glycerinaether
• Guajacol-«alpha»-glycerin-ether
• Guajacuran
• Guajamar
• Guanar
• Guayanesin
• Guiaphenesin
• Gvaja
• Hustodil
• Hustosil
• Hytuss
• Metfenossidiolo
• Methoxypropanediol
• Methphenoxydiol
• Metossipropandiolo
• Mintosyl
• Miocaina
• Miocurin
• Miorelax
• Mucinex
• Mucostop
• Muskurelax
• My 301
• Myocain
• Myocaine
• Myorelax
• Myoscain
• Myoscaine
• Neuroton
• Neurotone
• Oresol
• Oreson
• Organidin NR
• Propanosedyl
• Reduton
• Relaxil G
• Relaxyl-G
• Reorganin
• Resil
• Respenyl
• Respil
• Resyl
• Ritussin
• Robitussin
• SL-90
• Sirotol
• Tenntus
• Tenntuss
• Tolseron
• Tolyn
• Trecid
• Tulyl
• Tulyn
• XL-90
• guaifenesin
• o-Methoxyphenyl glyceryl ether
• «alpha»-Glyceryl guaiacol ether
• «alpha»-Glyceryl guaiacolate 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).
• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfusH°	22.34	kJ/mol	Joback Calculated Property
ΔvapH°	105.60	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-0.74		Aq. Solubility Prediction
logPoct/wat	0.427		Crippen Calculated Property
McVol	151.480	ml/mol	McGowan Calculated Property
Inp	1650.00		NIST
Tboil	614.28	K	Relay (1.0) Calculated Property
Tfus	[351.95; 352.58]	K
Tfus	351.95	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	352.58	K	Aq. Solubility Prediction

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[218.41; 488.55]	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			3.40920e+01
Coefficient B			7.62920e-01
Coefficient C			-3.26360e-04
Coefficient D			1.79000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	218.41	J/mol×K	273.00	Calculated Property
Cp,gas	263.94	J/mol×K	353.78	Calculated Property
Cp,gas	305.46	J/mol×K	434.56	Calculated Property
Cp,gas	343.03	J/mol×K	515.33	Calculated Property
Cp,gas	376.70	J/mol×K	596.11	Calculated Property
Cp,gas	406.52	J/mol×K	676.89	Calculated Property
Cp,gas	432.57	J/mol×K	757.67	Calculated Property
Cp,gas	454.88	J/mol×K	838.44	Calculated Property
Cp,gas	473.52	J/mol×K	919.22	Calculated Property
Cp,gas	488.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0096053; 0.0000245]	Pa×s	[352.26; 612.23]	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			-1.87126e+01
Coefficient B			4.95538e+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.			352.26
Temperature range, max.			612.23
η	0.0096053	Pa×s	352.26	Calculated Property
η	0.0033076	Pa×s	381.15	Calculated Property
η	0.0013236	Pa×s	410.04	Calculated Property
η	0.0005975	Pa×s	438.92	Calculated Property
η	0.0002976	Pa×s	467.81	Calculated Property
η	0.0001607	Pa×s	496.69	Calculated Property
η	0.0000929	Pa×s	525.58	Calculated Property
η	0.0000568	Pa×s	554.46	Calculated Property
η	0.0000365	Pa×s	583.35	Calculated Property
η	0.0000245	Pa×s	612.23	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Propanediol, 3-(2-methoxyphenoxy)-.

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
• Joback Method
• Aqueous Solubility Prediction 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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