Chemical Properties of 1,2-Diacetoxy-3-(2-methoxyphenoxy)propane (CAS 92865-65-1)

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

CAS

92865-65-1

Other Names

• Guaifenesin, acetylated

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-510.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-866.55	kJ/mol	Joback Calculated Property
ΔfusH°	30.09	kJ/mol	Joback Calculated Property
ΔvapH°	72.44	kJ/mol	Joback Calculated Property
log10WS	-2.06		Crippen Calculated Property
logPoct/wat	1.569		Crippen Calculated Property
McVol	210.980	ml/mol	McGowan Calculated Property
Pc	2104.20	kPa	Joback Calculated Property
Inp	[1865.00; 1865.00]
Inp	1865.00		NIST
Inp	1865.00		NIST
Tboil	748.36	K	Joback Calculated Property
Tc	954.66	K	Joback Calculated Property
Tfus	460.26	K	Joback Calculated Property
Vc	0.789	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[593.96; 662.60]	J/mol×K	[748.36; 954.66]
Cp,gas	593.96	J/mol×K	748.36	Joback Calculated Property
Cp,gas	607.92	J/mol×K	782.74	Joback Calculated Property
Cp,gas	620.90	J/mol×K	817.13	Joback Calculated Property
Cp,gas	632.88	J/mol×K	851.51	Joback Calculated Property
Cp,gas	643.84	J/mol×K	885.89	Joback Calculated Property
Cp,gas	653.75	J/mol×K	920.28	Joback Calculated Property
Cp,gas	662.60	J/mol×K	954.66	Joback Calculated Property
η	[0.0000650; 0.0005860]	Pa×s	[460.26; 748.36]
η	0.0005860	Pa×s	460.26	Joback Calculated Property
η	0.0003416	Pa×s	508.28	Joback Calculated Property
η	0.0002186	Pa×s	556.29	Joback Calculated Property
η	0.0001501	Pa×s	604.31	Joback Calculated Property
η	0.0001090	Pa×s	652.33	Joback Calculated Property
η	0.0000827	Pa×s	700.34	Joback Calculated Property
η	0.0000650	Pa×s	748.36	Joback Calculated Property

Similar Compounds

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

Sources

• 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.