Chemical Properties of Acetic acid, isothiocyanato-, ethyl ester (CAS 24066-82-8)

InChI

InChI=1S/C5H7NO2S/c1-2-8-5(7)3-6-4-9/h2-3H2,1H3

InChI Key

IYPSSPPKMLXXRN-UHFFFAOYSA-N

Formula

C5H7NO2S

SMILES

CCOC(=O)CN=C=S

Molecular Weight¹

145.18

CAS

24066-82-8

Other Names

• Carbethoxymethyl isothiocyanate
• Carboethoxymethyl isothiocyanate
• Ethyl isothiocyanatoacetate
• Ethyl isothiocyanoacetate
• Isothiocyanato-acetic acid ethyl ester
• Acetic acid, 2-isothiocyanato-, ethyl ester
• etil-izotiocianáto-acetát

• Δ_fH°_gas : Enthalpy of formation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-107.26	kJ/mol	Joback Calculated Property
ΔvapH°	46.32	kJ/mol	Joback Calculated Property
log10WS	-0.71		Crippen Calculated Property
logPoct/wat	0.652		Crippen Calculated Property
McVol	106.480	ml/mol	McGowan Calculated Property
Pc	3763.78	kPa	Joback Calculated Property
Inp	[1149.30; 1149.30]
Inp	1149.30		NIST
Inp	1149.30		NIST
Tboil	536.04	K	Joback Calculated Property
Tc	761.37	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, isothiocyanato-, ethyl ester.

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.