Chemical Properties of 2-[Hexylthio]ethanal

InChI

InChI=1S/C8H16OS/c1-2-3-4-5-7-10-8-6-9/h6H,2-5,7-8H2,1H3

InChI Key

FWYYDAZHINHUBD-UHFFFAOYSA-N

Formula

C8H16OS

SMILES

CCCCCCSCC=O

Molecular Weight¹

160.28

• 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	0.4897		Relay (1.0) Calculated Property
ΔfG°	-49.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-267.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.89	kJ/mol	Joback Calculated Property
ΔvapH°	62.06	kJ/mol	Relay (1.0) Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
log10WS	-2.37		Relay (1.0) Calculated Property
logPoct/wat	2.499		Crippen Calculated Property
McVol	141.500	ml/mol	McGowan Calculated Property
Pc	2784.72	kPa	Joback Calculated Property
I	[1745.00; 1745.00]
I	1745.00		NIST
I	1745.00		NIST
Tboil	505.04	K	Relay (1.0) Calculated Property
Tc	701.42	K	Relay (1.0) Calculated Property
Tfus	253.45	K	Relay (1.0) Calculated Property
Vc	0.514	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[200.61; 449.43]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.66160e+01
Coefficient B			7.32710e-01
Coefficient C			-3.64200e-04
Coefficient D			5.43000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	200.61	J/mol×K	273.00	Calculated Property
Cp,gas	242.65	J/mol×K	353.78	Calculated Property
Cp,gas	280.70	J/mol×K	434.56	Calculated Property
Cp,gas	314.92	J/mol×K	515.33	Calculated Property
Cp,gas	345.48	J/mol×K	596.11	Calculated Property
Cp,gas	372.55	J/mol×K	676.89	Calculated Property
Cp,gas	396.31	J/mol×K	757.67	Calculated Property
Cp,gas	416.93	J/mol×K	838.44	Calculated Property
Cp,gas	434.58	J/mol×K	919.22	Calculated Property
Cp,gas	449.43	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-[Hexylthio]ethanal.

Sources

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

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