Chemical Properties of (E)-1-(Prop-1-en-1-yl)-2-propyldisulfane (CAS 23838-21-3)

InChI

InChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3,5H,4,6H2,1-2H3/b5-3+

InChI Key

AAPBYIVJOWCMGH-HWKANZROSA-N

Formula

C6H12S2

SMILES

C/C=C/SSCCC

Molecular Weight¹

148.30

CAS

23838-21-3

Other Names

• Disulfide, 1-propenyl propyl, trans
• (E) n-Propyl 1-propenyl disulfide
• (E)-1-propenyl propyl disulfide
• (E)-propenyl propyl disulfide
• (E)-propenyl propyl disulphide
• Disulfide, (E)-1-propenyl, propyl
• Propyl 1-propenyl disulfide, trans
• Propyl 1-propenyl disulphide, trans
• propyl (E)-propenyl disulfide
• propyl trans-1-propenyl disulfide
• trans-Propenyl propyl disulfide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-14.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.76	kJ/mol	Joback Calculated Property
ΔvapH°	51.64	kJ/mol	Relay (1.0) Calculated Property
IE	8.04	eV	Relay (1.0) Calculated Property
logPoct/wat	3.311		Crippen Calculated Property
McVol	123.800	ml/mol	McGowan Calculated Property
Inp	[1090.60; 1118.00]
Inp	1099.00		NIST
Inp	1090.60		NIST
Inp	1096.00		NIST
Inp	1100.00		NIST
Inp	1098.00		NIST
Inp	1098.00		NIST
Inp	1118.00		NIST
Inp	1095.00		NIST
Inp	1117.60		NIST
Inp	1117.60		NIST
Inp	1098.00		NIST
Ip	[1422.00; 1482.00]
Ip	1482.00		NIST
Ip	1438.00		NIST
Ip	1435.00		NIST
Ip	1473.00		NIST
Ip	1447.00		NIST
Ip	1447.00		NIST
Ip	1422.00		NIST
Ip	1447.00		NIST
Tboil	459.62	K	Relay (1.0) Calculated Property
Tfus	191.08	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[159.77; 351.47]	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			2.24520e+01
Coefficient B			5.82620e-01
Coefficient C			-3.06000e-04
Coefficient D			5.24000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	159.77	J/mol×K	273.00	Calculated Property
Cp,gas	192.59	J/mol×K	353.78	Calculated Property
Cp,gas	222.15	J/mol×K	434.56	Calculated Property
Cp,gas	248.60	J/mol×K	515.33	Calculated Property
Cp,gas	272.12	J/mol×K	596.11	Calculated Property
Cp,gas	292.87	J/mol×K	676.89	Calculated Property
Cp,gas	311.01	J/mol×K	757.67	Calculated Property
Cp,gas	326.72	J/mol×K	838.44	Calculated Property
Cp,gas	340.15	J/mol×K	919.22	Calculated Property
Cp,gas	351.47	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to (E)-1-(Prop-1-en-1-yl)-2-propyldisulfane.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.