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

• 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_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
ΔfG°	120.60	kJ/mol	Joback Calculated Property
ΔfH°gas	0.13	kJ/mol	Joback Calculated Property
ΔfusH°	14.15	kJ/mol	Joback Calculated Property
ΔvapH°	35.10	kJ/mol	Joback Calculated Property
log10WS	-2.07		Crippen 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	402.14	K	Joback Calculated Property
Tc	595.12	K	Joback Calculated Property
Tfus	190.02	K	Joback Calculated Property
Vc	0.406	m3/kmol	Joback 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

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

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