Chemical Properties of Disulfide, methyl 2-propenyl (CAS 2179-58-0)

InChI

InChI=1S/C4H8S2/c1-3-4-6-5-2/h3H,1,4H2,2H3

InChI Key

XNZOTQPMYMCTBZ-UHFFFAOYSA-N

Formula

C4H8S2

SMILES

C=CCSSC

Molecular Weight¹

120.24

CAS

2179-58-0

Other Names

• 2-propenylmethyldisulfide
• 4,5-dithia-1-hexene
• Allyl methyl disulfide
• Allyl methyl disulphide
• Methyl 2-propenyl disulfide
• Methyl allyl disulfide
• Methyl allyl disulphide

• 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°	136.88	kJ/mol	Joback Calculated Property
ΔfH°gas	83.28	kJ/mol	Joback Calculated Property
ΔfusH°	13.10	kJ/mol	Joback Calculated Property
ΔvapH°	37.46	kJ/mol	Joback Calculated Property
log10WS	-2.11		Crippen Calculated Property
logPoct/wat	2.184		Crippen Calculated Property
McVol	95.620	ml/mol	McGowan Calculated Property
Pc	4294.29	kPa	Joback Calculated Property
Inp	[887.00; 928.00]
Inp	915.00		NIST
Inp	928.00		NIST
Inp	910.00		NIST
Inp	900.00		NIST
Inp	922.00		NIST
Inp	902.00		NIST
Inp	900.00		NIST
Inp	895.00		NIST
Inp	918.50		NIST
Inp	894.00		NIST
Inp	923.00		NIST
Inp	887.00		NIST
Inp	919.00		NIST
Inp	924.00		NIST
Inp	891.00		NIST
Inp	900.00		NIST
Inp	921.00		NIST
Inp	900.00		NIST
Inp	913.00		NIST
Inp	912.00		NIST
Inp	920.00		NIST
Inp	928.00		NIST
Inp	926.00		NIST
Inp	918.50		NIST
I	[1241.00; 1322.00]
I	1261.00		NIST
I	1296.00		NIST
I	1266.00		NIST
I	Outlier 1322.00		NIST
I	1296.00		NIST
I	1281.00		NIST
I	1281.00		NIST
I	1266.00		NIST
I	1283.00		NIST
I	1282.00		NIST
I	1241.00		NIST
I	1282.00		NIST
I	1282.00		NIST
I	1282.00		NIST
I	1271.00		NIST
I	1253.00		NIST
I	1271.00		NIST
I	1261.00		NIST
I	1281.00		NIST
I	1241.00		NIST
Tboil	425.16	K	Joback Calculated Property
Tc	648.50	K	Joback Calculated Property
Tfus	201.88	K	Joback Calculated Property
Vc	0.348	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[160.63; 206.42]	J/mol×K	[425.16; 648.50]
Cp,gas	160.63	J/mol×K	425.16	Joback Calculated Property
Cp,gas	169.22	J/mol×K	462.38	Joback Calculated Property
Cp,gas	177.43	J/mol×K	499.61	Joback Calculated Property
Cp,gas	185.25	J/mol×K	536.83	Joback Calculated Property
Cp,gas	192.69	J/mol×K	574.05	Joback Calculated Property
Cp,gas	199.75	J/mol×K	611.28	Joback Calculated Property
Cp,gas	206.42	J/mol×K	648.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Disulfide, methyl 2-propenyl.

Sources

• 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.