Chemical Properties of Diallyl disulphide (CAS 2179-57-9)

InChI

InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2

InChI Key

PFRGXCVKLLPLIP-UHFFFAOYSA-N

Formula

C6H10S2

SMILES

C=CCSSCC=C

Molecular Weight¹

146.27

CAS

2179-57-9

Other Names

• Allyl disulfide
• Diallyl disulfide
• Disulfide, di-2-propenyl
• Allyl disulphide
• 4,5-Dithia-1,7-octadiene
• 2-Propenyl disulphide
• di-2-Propenyl disulfide
• di-Propenyl disulfide
• dipropenyldisulfide (diallyl disulfide)

• 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_boilr : Boiling point at reduced pressure (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°	241.56	kJ/mol	Joback Calculated Property
ΔfH°gas	167.43	kJ/mol	Joback Calculated Property
ΔfusH°	17.00	kJ/mol	Joback Calculated Property
ΔvapH°	41.24	kJ/mol	Joback Calculated Property
log10WS	-2.80		Crippen Calculated Property
logPoct/wat	2.740		Crippen Calculated Property
McVol	119.500	ml/mol	McGowan Calculated Property
Pc	3560.02	kPa	Joback Calculated Property
Inp	[1048.00; 1096.00]
Inp	1073.00		NIST
Inp	1080.00		NIST
Inp	1065.00		NIST
Inp	1082.00		NIST
Inp	1077.00		NIST
Inp	1056.00		NIST
Inp	1085.00		NIST
Inp	1078.00		NIST
Inp	1064.00		NIST
Inp	1088.00		NIST
Inp	1083.00		NIST
Inp	1060.00		NIST
Inp	1085.00		NIST
Inp	1054.00		NIST
Inp	Outlier 1048.00		NIST
Inp	1080.00		NIST
Inp	1087.00		NIST
Inp	1079.00		NIST
Inp	Outlier 1050.00		NIST
Inp	1072.00		NIST
Inp	1075.00		NIST
Inp	1073.00		NIST
Inp	1088.00		NIST
Inp	1069.00		NIST
Inp	1071.00		NIST
Inp	1064.00		NIST
Inp	1076.00		NIST
Inp	1075.00		NIST
Inp	1071.00		NIST
Inp	1095.00		NIST
Inp	1096.00		NIST
Inp	1090.00		NIST
Inp	1073.00		NIST
I	[1436.00; 1526.00]
I	1463.00		NIST
I	1496.00		NIST
I	Outlier 1526.00		NIST
I	1490.00		NIST
I	1480.00		NIST
I	1480.00		NIST
I	1475.00		NIST
I	1441.00		NIST
I	1490.00		NIST
I	1490.00		NIST
I	1490.00		NIST
I	1465.00		NIST
I	1465.00		NIST
I	1470.00		NIST
I	1468.00		NIST
I	1500.00		NIST
I	1475.00		NIST
I	1436.00		NIST
I	1436.00		NIST
I	1463.00		NIST
I	1480.00		NIST
I	1490.00		NIST
Tboil	460.70	K	NIST
Tc	689.62	K	Joback Calculated Property
Tfus	222.66	K	Joback Calculated Property
Vc	0.442	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[220.48; 276.63]	J/mol×K	[467.60; 689.62]
Cp,gas	220.48	J/mol×K	467.60	Joback Calculated Property
Cp,gas	231.22	J/mol×K	504.60	Joback Calculated Property
Cp,gas	241.39	J/mol×K	541.61	Joback Calculated Property
Cp,gas	251.01	J/mol×K	578.61	Joback Calculated Property
Cp,gas	260.08	J/mol×K	615.62	Joback Calculated Property
Cp,gas	268.62	J/mol×K	652.62	Joback Calculated Property
Cp,gas	276.63	J/mol×K	689.62	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Diallyl disulphide.

Sources

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

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