Chemical Properties of Asparagusic acid (CAS 2224-02-4)

InChI

InChI=1S/C4H6O2S2/c5-4(6)3-1-7-8-2-3/h3H,1-2H2,(H,5,6)

InChI Key

AYGMEFRECNWRJC-UHFFFAOYSA-N

Formula

C4H6O2S2

SMILES

O=C(O)C1CSSC1

Molecular Weight¹

150.22

CAS

2224-02-4

• ω : Acentric Factor.
• 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).
• 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	0.5543		Relay (1.0) Calculated Property
ΔfG°	-166.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-337.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.05	kJ/mol	Joback Calculated Property
ΔvapH°	90.68	kJ/mol	Relay (1.0) Calculated Property
IE	9.15	eV	Relay (1.0) Calculated Property
log10WS	-0.18		Relay (1.0) Calculated Property
logPoct/wat	1.082		Crippen Calculated Property
McVol	96.500	ml/mol	McGowan Calculated Property
Pc	6113.06	kPa	Joback Calculated Property
Inp	[1444.20; 1444.20]
Inp	1444.20		NIST
Inp	1444.20		NIST
Tboil	570.46	K	Relay (1.0) Calculated Property
Tc	819.51	K	Relay (1.0) Calculated Property
Tfus	363.74	K	Relay (1.0) Calculated Property
Vc	0.311	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[200.92; 243.34]	J/mol×K	[547.91; 777.20]
Cp,gas	200.92	J/mol×K	547.91	Joback Calculated Property
Cp,gas	209.38	J/mol×K	586.12	Joback Calculated Property
Cp,gas	217.24	J/mol×K	624.34	Joback Calculated Property
Cp,gas	224.54	J/mol×K	662.55	Joback Calculated Property
Cp,gas	231.30	J/mol×K	700.77	Joback Calculated Property
Cp,gas	237.56	J/mol×K	738.98	Joback Calculated Property
Cp,gas	243.34	J/mol×K	777.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Asparagusic acid.

Sources

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

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