Chemical Properties of Propane, 1,1'-sulfinylbis-

InChI

InChI=1S/C6H14OS/c1-3-5-8(7)6-4-2/h3-6H2,1-2H3

InChI Key

BQCCJWMQESHLIT-UHFFFAOYSA-N

Formula

C6H14OS

SMILES

CCCS(=O)CCC

Molecular Weight¹

134.24

Other Names

• (n-C3H7)2SO
• 1,1'-Sulphinylbispropane
• 1,1'-sulfinylbispropane
• Di-n-propyl sulfoxid
• Di-n-propyl sulphoxide
• Di-n-propylsulfoxide
• Dipropyl sulphoxide
• NSC 75838
• Sulfoxide, dipropyl
• di-n-propyl sulfoxide
• dipropyl sulfoxide
• propyl sulfoxide

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• γ : Surface Tension (N/m).
• 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
ΔcH°liquid	-4634.60 ± 0.40	kJ/mol	NIST
ΔfH°gas	-255.00 ± 2.00	kJ/mol	NIST
ΔfH°liquid	-329.00 ± 0.80	kJ/mol	NIST
ΔfusH°	19.05	kJ/mol	Joback Calculated Property
ΔvapH°	[74.00; 74.00]	kJ/mol
ΔvapH°	74.00 ± 1.00	kJ/mol	NIST
ΔvapH°	74.00 ± 1.00	kJ/mol	NIST
IE	8.60	eV	NIST
log10WS	-0.86		Relay (1.0) Calculated Property
logPoct/wat	1.555		Crippen Calculated Property
McVol	117.620	ml/mol	McGowan Calculated Property
Tboil	[475.00; 475.00]	K
Tboil	475.00 ± 1.00	K	NIST
Tboil	475.00 ± 1.00	K	NIST
Tfus	[295.65; 297.90]	K
Tfus	295.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	297.90 ± 1.00	K	NIST
Tfus	297.90 ± 1.00	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 0.03]	N/m	[298.15; 328.15]
γ	0.03	N/m	298.15	Surface and bulk behavior of (dialkylsulfoxides + carbon tetrachloride) mixtures
γ	0.03	N/m	298.15	Surface Tension and Refractive Index of Dialkylsulfoxide + Water Mixtures at Several Temperatures
γ	0.03	N/m	303.15	Surface and bulk behavior of (dialkylsulfoxides + carbon tetrachloride) mixtures
γ	0.03	N/m	303.15	Surface Tension and Refractive Index of Dialkylsulfoxide + Water Mixtures at Several Temperatures
γ	0.03	N/m	308.15	Surface and bulk behavior of (dialkylsulfoxides + carbon tetrachloride) mixtures
γ	0.03	N/m	308.15	Surface Tension and Refractive Index of Dialkylsulfoxide + Water Mixtures at Several Temperatures
γ	0.03	N/m	313.15	Surface and bulk behavior of (dialkylsulfoxides + carbon tetrachloride) mixtures
γ	0.03	N/m	313.15	Surface Tension and Refractive Index of Dialkylsulfoxide + Water Mixtures at Several Temperatures
γ	0.03	N/m	318.15	Surface Tension and Refractive Index of Dialkylsulfoxide + Water Mixtures at Several Temperatures
γ	0.03	N/m	323.15	Surface Tension and Refractive Index of Dialkylsulfoxide + Water Mixtures at Several Temperatures
γ	0.03	N/m	328.15	Surface Tension and Refractive Index of Dialkylsulfoxide + Water Mixtures at Several Temperatures

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.02; 376.78]	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			2.38540e+01
Coefficient B			5.87830e-01
Coefficient C			-2.49700e-04
Coefficient D			1.48000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.02	J/mol×K	273.00	Calculated Property
Cp,gas	201.22	J/mol×K	353.78	Calculated Property
Cp,gas	233.36	J/mol×K	434.56	Calculated Property
Cp,gas	262.50	J/mol×K	515.33	Calculated Property
Cp,gas	288.67	J/mol×K	596.11	Calculated Property
Cp,gas	311.93	J/mol×K	676.89	Calculated Property
Cp,gas	332.33	J/mol×K	757.67	Calculated Property
Cp,gas	349.90	J/mol×K	838.44	Calculated Property
Cp,gas	364.71	J/mol×K	919.22	Calculated Property
Cp,gas	376.78	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 1,1'-sulfinylbis-.

Mixtures

• Propane, 1,1'-sulfinylbis- + Carbon Tetrachloride
• Propane, 1,1'-sulfinylbis- + Water

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Surface and bulk behavior of (dialkylsulfoxides + carbon tetrachloride) mixtures
• Surface Tension and Refractive Index of Dialkylsulfoxide + Water Mixtures at Several Temperatures
• Joback Method
• McGowan Method
• NIST Webbook

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