Chemical Properties of Allyl propyl sulfide (CAS 27817-67-0)

InChI

InChI=1S/C6H12S/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3

InChI Key

JMLIYQJQKZYHDQ-UHFFFAOYSA-N

Formula

C6H12S

SMILES

C=CCSCCC

Molecular Weight¹

116.22

CAS

27817-67-0

Other Names

• 4-thia-1-heptene
• 2-propenyl propyl sulfide
• CH3CH2CH2SCH2CH=CH2
• 3-(propylthio)propene

• 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_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
ω	0.2305		Relay (... Calculated Property
ΔfG°	120.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-9.31	kJ/mol	Relay (... Calculated Property
ΔfusH°	14.15	kJ/mol	Joback Calculated Property
ΔvapH°	43.23	kJ/mol	Relay (... Calculated Property
IE	8.47	eV	Relay (... Calculated Property
log10WS	-2.28		Relay (... Calculated Property
logPoct/wat	2.316		Crippen Calculated Property
McVol	107.450	ml/mol	McGowan Calculated Property
Pc	3322.01	kPa	Joback Calculated Property
Inp	[825.00; 899.00]
Inp	870.00		NIST
Inp	870.00		NIST
Inp	875.00		NIST
Inp	858.00		NIST
Inp	872.00		NIST
Inp	Outlier 825.00		NIST
Inp	899.00		NIST
Inp	872.00		NIST
Inp	875.00		NIST
I	[1086.00; 1137.00]
I	1099.00		NIST
I	1137.00		NIST
I	1099.00		NIST
I	1086.00		NIST
I	1099.00		NIST
Tboil	410.72	K	Relay (... Calculated Property
Tc	592.67	K	Relay (... Calculated Property
Tfus	156.36	K	Relay (... Calculated Property
Vc	0.375	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[191.61; 249.79]	J/mol×K	[402.14; 595.12]
Cp,gas	191.61	J/mol×K	402.14	Joback Calculated Property
Cp,gas	202.42	J/mol×K	434.30	Joback Calculated Property
Cp,gas	212.76	J/mol×K	466.47	Joback Calculated Property
Cp,gas	222.66	J/mol×K	498.63	Joback Calculated Property
Cp,gas	232.13	J/mol×K	530.79	Joback Calculated Property
Cp,gas	241.16	J/mol×K	562.96	Joback Calculated Property
Cp,gas	249.79	J/mol×K	595.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to Allyl propyl sulfide.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.