Chemical Properties of cis-2-methyl-4- n-propyl-1,3-oxathiane (CAS 59323-76-1)

InChI

InChI=1S/C8H16OS/c1-3-4-8-5-6-9-7(2)10-8/h7-8H,3-6H2,1-2H3/t7-,8+/m0/s1

InChI Key

GKGOLPMYJJXRGD-JGVFFNPUSA-N

Formula

C8H16OS

SMILES

CCCC1CCOC(C)S1

Molecular Weight¹

160.28

CAS

59323-76-1

Other Names

• cis-2-methyl-4-propyl-1,3-oxathiane

• 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	0.3105		Relay (... Calculated Property
ΔfG°	-13.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-268.90	kJ/mol	Relay (... Calculated Property
ΔfusH°	21.02	kJ/mol	Joback Calculated Property
ΔvapH°	55.43	kJ/mol	Relay (... Calculated Property
IE	8.51	eV	Relay (... Calculated Property
log10WS	-2.19		Relay (... Calculated Property
logPoct/wat	2.655		Crippen Calculated Property
McVol	134.940	ml/mol	McGowan Calculated Property
Pc	2989.32	kPa	Joback Calculated Property
I	[1514.00; 1514.00]
I	1514.00		NIST
I	1514.00		NIST
Tboil	469.58	K	Relay (... Calculated Property
Tc	672.38	K	Relay (... Calculated Property
Tfus	236.03	K	Relay (... Calculated Property
Vc	0.472	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[294.64; 386.19]	J/mol×K	[472.10; 687.27]
Cp,gas	294.64	J/mol×K	472.10	Joback Calculated Property
Cp,gas	312.04	J/mol×K	507.96	Joback Calculated Property
Cp,gas	328.56	J/mol×K	543.82	Joback Calculated Property
Cp,gas	344.21	J/mol×K	579.69	Joback Calculated Property
Cp,gas	359.02	J/mol×K	615.55	Joback Calculated Property
Cp,gas	373.01	J/mol×K	651.41	Joback Calculated Property
Cp,gas	386.19	J/mol×K	687.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-2-methyl-4- n-propyl-1,3-oxathiane.

Sources

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

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