Chemical Properties of 1,2-Diacetoxy-3-(2-methoxyphenoxy)propane

InChI

InChI=1S/C14H18O6/c1-10(15)18-8-12(20-11(2)16)9-19-14-7-5-4-6-13(14)17-3/h4-7,12H,8-9H2,1-3H3

InChI Key

HPQAMKIXSOVULB-UHFFFAOYSA-N

Formula

C14H18O6

SMILES

COc1ccccc1OCC(COC(C)=O)OC(C)=O

Molecular Weight¹

282.29

Other Names

• Guaifenesin, acetylated

• 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).
• 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
ΔfH°gas	-971.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.26	kJ/mol	Joback Calculated Property
log10WS	-1.94		Relay (1.0) Calculated Property
logPoct/wat	1.569		Crippen Calculated Property
McVol	210.980	ml/mol	McGowan Calculated Property
Inp	[1865.00; 1865.00]
Inp	1865.00		NIST
Inp	1865.00		NIST
Tboil	607.60	K	Relay (1.0) Calculated Property
Tfus	319.03	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[584.54; 655.49]	J/mol×K	[712.42; 914.70]
Cp,gas	584.54	J/mol×K	712.42	Joback Calculated Property
Cp,gas	598.96	J/mol×K	746.13	Joback Calculated Property
Cp,gas	612.36	J/mol×K	779.85	Joback Calculated Property
Cp,gas	624.73	J/mol×K	813.56	Joback Calculated Property
Cp,gas	636.05	J/mol×K	847.27	Joback Calculated Property
Cp,gas	646.31	J/mol×K	880.98	Joback Calculated Property
Cp,gas	655.49	J/mol×K	914.70	Joback Calculated Property
η	[0.0000520; 0.0009641]	Pa×s	[400.60; 712.42]
η	0.0009641	Pa×s	400.60	Joback Calculated Property
η	0.0004482	Pa×s	452.57	Joback Calculated Property
η	0.0002439	Pa×s	504.54	Joback Calculated Property
η	0.0001488	Pa×s	556.51	Joback Calculated Property
η	0.0000987	Pa×s	608.48	Joback Calculated Property
η	0.0000699	Pa×s	660.45	Joback Calculated Property
η	0.0000520	Pa×s	712.42	Joback Calculated Property

Similar Compounds

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

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
• 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.
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