Chemical Properties of Acetic acid, (2-propenylthio)- (CAS 20600-63-9)

InChI

InChI=1S/C5H8O2S/c1-2-3-8-4-5(6)7/h2H,1,3-4H2,(H,6,7)

InChI Key

BLSMRHBHPHGMSV-UHFFFAOYSA-N

Formula

C5H8O2S

SMILES

C=CCSCC(=O)O

Molecular Weight¹

132.18

CAS

20600-63-9

Other Names

• Acetic acid, (allylthio)-
• (Allylthio)acetic acid

• 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_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°	-153.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-244.04	kJ/mol	Joback Calculated Property
ΔfusH°	17.24	kJ/mol	Joback Calculated Property
ΔvapH°	56.30	kJ/mol	Joback Calculated Property
log10WS	-0.75		Crippen Calculated Property
logPoct/wat	0.990		Crippen Calculated Property
McVol	100.800	ml/mol	McGowan Calculated Property
Pc	4540.80	kPa	Joback Calculated Property
Inp	[1013.00; 1014.00]
Inp	1013.00		NIST
Inp	1014.00		NIST
Tboil	525.31	K	Joback Calculated Property
Tc	720.69	K	Joback Calculated Property
Tfus	289.50	K	Joback Calculated Property
Vc	0.376	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[207.51; 247.08]	J/mol×K	[525.31; 720.69]
Cp,gas	207.51	J/mol×K	525.31	Joback Calculated Property
Cp,gas	215.02	J/mol×K	557.87	Joback Calculated Property
Cp,gas	222.15	J/mol×K	590.44	Joback Calculated Property
Cp,gas	228.91	J/mol×K	623.00	Joback Calculated Property
Cp,gas	235.32	J/mol×K	655.57	Joback Calculated Property
Cp,gas	241.37	J/mol×K	688.13	Joback Calculated Property
Cp,gas	247.08	J/mol×K	720.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, (2-propenylthio)-.

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.