Chemical Properties of 1-Propanol, 3-(ethylthio)- (CAS 18721-61-4)

InChI

InChI=1S/C5H12OS/c1-2-7-5-3-4-6/h6H,2-5H2,1H3

InChI Key

KRUJXSIEMOWXOF-UHFFFAOYSA-N

Formula

C5H12OS

SMILES

CCSCCCO

Molecular Weight¹

120.21

CAS

18721-61-4

Other Names

• 3-Ethylthio-1-propanol
• 3-(ethylthio)propanol

• 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	0.5894		Relay (1.0) Calculated Property
ΔfG°	-112.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-271.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.92	kJ/mol	Joback Calculated Property
ΔvapH°	70.02	kJ/mol	Relay (1.0) Calculated Property
IE	8.92	eV	Relay (1.0) Calculated Property
log10WS	-0.16		Relay (1.0) Calculated Property
logPoct/wat	1.122		Crippen Calculated Property
McVol	103.530	ml/mol	McGowan Calculated Property
Pc	3960.52	kPa	Joback Calculated Property
I	[1802.00; 1802.00]
I	1802.00		NIST
I	1802.00		NIST
Tboil	481.12	K	Relay (1.0) Calculated Property
Tc	695.20	K	Relay (1.0) Calculated Property
Tfus	229.81	K	Relay (1.0) Calculated Property
Vc	0.355	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.57; 262.20]	J/mol×K	[474.76; 656.94]
Cp,gas	213.57	J/mol×K	474.76	Joback Calculated Property
Cp,gas	222.54	J/mol×K	505.12	Joback Calculated Property
Cp,gas	231.16	J/mol×K	535.49	Joback Calculated Property
Cp,gas	239.43	J/mol×K	565.85	Joback Calculated Property
Cp,gas	247.36	J/mol×K	596.22	Joback Calculated Property
Cp,gas	254.95	J/mol×K	626.58	Joback Calculated Property
Cp,gas	262.20	J/mol×K	656.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Propanol, 3-(ethylthio)-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.