Chemical Properties of 2-[Pentylthio]ethanal

InChI

InChI=1S/C7H14OS/c1-2-3-4-6-9-7-5-8/h5H,2-4,6-7H2,1H3

InChI Key

RVRKRAVIMVLTKL-UHFFFAOYSA-N

Formula

C7H14OS

SMILES

CCCCCSCC=O

Molecular Weight¹

146.25

• 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 : 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°	-58.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-231.52	kJ/mol	Joback Calculated Property
ΔfusH°	20.30	kJ/mol	Joback Calculated Property
ΔvapH°	44.71	kJ/mol	Joback Calculated Property
log10WS	-1.92		Crippen Calculated Property
logPoct/wat	2.109		Crippen Calculated Property
McVol	127.410	ml/mol	McGowan Calculated Property
Pc	3089.85	kPa	Joback Calculated Property
I	[1630.00; 1630.00]
I	1630.00		NIST
I	1630.00		NIST
Tboil	477.00	K	Joback Calculated Property
Tc	670.16	K	Joback Calculated Property
Tfus	245.05	K	Joback Calculated Property
Vc	0.498	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[265.83; 328.52]	J/mol×K	[477.00; 670.16]
Cp,gas	265.83	J/mol×K	477.00	Joback Calculated Property
Cp,gas	277.52	J/mol×K	509.19	Joback Calculated Property
Cp,gas	288.70	J/mol×K	541.39	Joback Calculated Property
Cp,gas	299.38	J/mol×K	573.58	Joback Calculated Property
Cp,gas	309.57	J/mol×K	605.78	Joback Calculated Property
Cp,gas	319.28	J/mol×K	637.97	Joback Calculated Property
Cp,gas	328.52	J/mol×K	670.16	Joback Calculated Property

Similar Compounds

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

Sources

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

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