Chemical Properties of (Z)-1-propenyl sec-butyl disulfide (CAS 24351-70-0)

InChI

InChI=1S/C7H14S2/c1-4-6-8-9-7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4-

InChI Key

IOVUOUZQSDBAQN-XQRVVYSFSA-N

Formula

C7H14S2

SMILES

CC=CSSC(C)CC

Molecular Weight¹

162.32

CAS

24351-70-0

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	18.82	kJ/mol	Joback Calculated Property
logPoct/wat	3.700		Crippen Calculated Property
McVol	137.890	ml/mol	McGowan Calculated Property
Inp	[1142.00; 1177.00]
Inp	1176.80		NIST
Inp	1177.00		NIST
Inp	1142.00		NIST
Inp	1149.00		NIST
Inp	1176.80		NIST
Inp	1177.00		NIST
Tboil	470.92	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.67; 403.60]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.98610e+01
Coefficient B			6.83540e-01
Coefficient C			-3.63600e-04
Coefficient D			6.38000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.67	J/mol×K	273.00	Calculated Property
Cp,gas	219.00	J/mol×K	353.78	Calculated Property
Cp,gas	253.47	J/mol×K	434.56	Calculated Property
Cp,gas	284.28	J/mol×K	515.33	Calculated Property
Cp,gas	311.64	J/mol×K	596.11	Calculated Property
Cp,gas	335.73	J/mol×K	676.89	Calculated Property
Cp,gas	356.78	J/mol×K	757.67	Calculated Property
Cp,gas	374.97	J/mol×K	838.44	Calculated Property
Cp,gas	390.51	J/mol×K	919.22	Calculated Property
Cp,gas	403.60	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to (Z)-1-propenyl sec-butyl disulfide.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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