Chemical Properties of 2,4-Bis(propylthio)but-2-enal

InChI

InChI=1S/C10H18OS2/c1-3-6-12-8-5-10(9-11)13-7-4-2/h5,9H,3-4,6-8H2,1-2H3/b10-5-

InChI Key

QAFMVKZVVVOIHF-YHYXMXQVSA-N

Formula

C10H18OS2

SMILES

CCCSCC=C(C=O)SCCC

Molecular Weight¹

218.38

• 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 : 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	0.4537		Relay (... Calculated Property
ΔfG°	71.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-179.01	kJ/mol	Relay (... Calculated Property
ΔfusH°	31.10	kJ/mol	Joback Calculated Property
ΔvapH°	71.50	kJ/mol	Relay (... Calculated Property
IE	8.28	eV	Relay (... Calculated Property
log10WS	-3.47		Relay (... Calculated Property
logPoct/wat	3.356		Crippen Calculated Property
McVol	181.730	ml/mol	McGowan Calculated Property
Pc	2467.81	kPa	Joback Calculated Property
I	[2225.00; 2225.00]
I	2225.00		NIST
I	2225.00		NIST
Tboil	559.22	K	Relay (... Calculated Property
Tc	751.60	K	Relay (... Calculated Property
Tfus	245.84	K	Relay (... Calculated Property
Vc	0.620	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[435.14; 508.77]	J/mol×K	[618.46; 833.50]
Cp,gas	435.14	J/mol×K	618.46	Joback Calculated Property
Cp,gas	449.40	J/mol×K	654.30	Joback Calculated Property
Cp,gas	462.82	J/mol×K	690.14	Joback Calculated Property
Cp,gas	475.45	J/mol×K	725.98	Joback Calculated Property
Cp,gas	487.29	J/mol×K	761.82	Joback Calculated Property
Cp,gas	498.39	J/mol×K	797.66	Joback Calculated Property
Cp,gas	508.77	J/mol×K	833.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Bis(propylthio)but-2-enal.

Sources

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

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