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

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.7677		Relay (1.0) Calculated Property
ΔfG°	-510.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-971.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.09	kJ/mol	Joback Calculated Property
ΔvapH°	104.12	kJ/mol	Relay (1.0) Calculated Property
IE	8.20	eV	Relay (1.0) 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
Pc	2104.20	kPa	Joback Calculated Property
Inp	[1865.00; 1865.00]
Inp	1865.00		NIST
Inp	1865.00		NIST
Tboil	607.60	K	Relay (1.0) Calculated Property
Tc	786.78	K	Relay (1.0) Calculated Property
Tfus	324.27	K	Relay (1.0) Calculated Property
Vc	0.783	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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