Chemical Properties of Ethofumesate (CAS 26225-79-6)

InChI

InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3

InChI Key

IRCMYGHHKLLGHV-UHFFFAOYSA-N

Formula

C13H18O5S

SMILES

CCOC1Oc2ccc(OS(C)(=O)=O)cc2C1(C)C

Molecular Weight¹

286.34

CAS

26225-79-6

Other Names

• (.+/-.)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranol methanesulfonate
• (.+/-.)-2-Ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranylmethanesulfonate
• (dl)-2-ethoxy-2,3-dihydro-3,3-dimethyl-5-benzofuranylmethanesulfonate
• 2-Ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate
• 5-Benzofuranol, 2-Ethoxy-2,3-dihydro-3,3-dimethyl-, methanesulfonate
• 5-Benzofuranol, 2-ethoxy-2,3-dihydro-3,3-dimethyl-, methanesulfonate, (.+/-.)-
• CR 14658
• NC 8438
• Norton
• Nortran
• Nortranese
• Nortron
• Nortron (new)
• Prograss
• Tramat

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fusH : Enthalpy of fusion at a given temperature (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°	-565.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-880.15	kJ/mol	Joback Calculated Property
ΔfusH°	37.33	kJ/mol	Joback Calculated Property
ΔvapH°	74.55	kJ/mol	Joback Calculated Property
log10WS	[-3.42; -3.42]
log10WS	-3.42		Aq. Sol...
log10WS	-3.42		Estimat...
logPoct/wat	2.058		Crippen Calculated Property
McVol	205.110	ml/mol	McGowan Calculated Property
Pc	2738.28	kPa	Joback Calculated Property
Inp	[1910.00; 1953.00]
Inp	1910.00		NIST
Inp	1924.00		NIST
Inp	1953.00		NIST
Inp	1951.00		NIST
Tboil	655.36	K	Joback Calculated Property
Tc	862.89	K	Joback Calculated Property
Tfus	345.62 ± 0.20	K	NIST
Vc	0.792	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[552.27; 637.92]	J/mol×K	[655.36; 862.89]
Cp,gas	552.27	J/mol×K	655.36	Joback Calculated Property
Cp,gas	568.33	J/mol×K	689.95	Joback Calculated Property
Cp,gas	583.58	J/mol×K	724.54	Joback Calculated Property
Cp,gas	598.09	J/mol×K	759.13	Joback Calculated Property
Cp,gas	611.93	J/mol×K	793.71	Joback Calculated Property
Cp,gas	625.18	J/mol×K	828.30	Joback Calculated Property
Cp,gas	637.92	J/mol×K	862.89	Joback Calculated Property
ΔfusH	26.25	kJ/mol	344.10	NIST

Similar Compounds

Find more compounds similar to Ethofumesate.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility 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.