Chemical Properties of allyl thiopropanal

InChI

InChI=1S/C6H10OS/c1-2-5-8-6-3-4-7/h2,4H,1,3,5-6H2

InChI Key

AXZSEPBLUIEYQI-UHFFFAOYSA-N

Formula

C6H10OS

SMILES

C=CCSCCC=O

Molecular Weight¹

130.21

Other Names

• 3-(allylthio)propanal

• 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.
• 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
ΔfG°	21.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-85.45	kJ/mol	Joback Calculated Property
ΔfusH°	16.43	kJ/mol	Joback Calculated Property
ΔvapH°	41.82	kJ/mol	Joback Calculated Property
log10WS	-1.35		Crippen Calculated Property
logPoct/wat	1.495		Crippen Calculated Property
McVol	109.020	ml/mol	McGowan Calculated Property
Pc	3624.61	kPa	Joback Calculated Property
Inp	[1042.00; 1042.00]
Inp	1042.00		NIST
Inp	1042.00		NIST
I	[1644.00; 1646.00]
I	1646.00		NIST
I	1644.00		NIST
I	1646.00		NIST
Tboil	450.80	K	Joback Calculated Property
Tc	650.46	K	Joback Calculated Property
Tfus	232.02	K	Joback Calculated Property
Vc	0.423	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[208.90; 260.87]	J/mol×K	[450.80; 650.46]
Cp,gas	208.90	J/mol×K	450.80	Joback Calculated Property
Cp,gas	218.68	J/mol×K	484.08	Joback Calculated Property
Cp,gas	228.00	J/mol×K	517.35	Joback Calculated Property
Cp,gas	236.87	J/mol×K	550.63	Joback Calculated Property
Cp,gas	245.30	J/mol×K	583.91	Joback Calculated Property
Cp,gas	253.29	J/mol×K	617.19	Joback Calculated Property
Cp,gas	260.87	J/mol×K	650.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to allyl thiopropanal.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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