Chemical Properties of Ethane, 1,1-bis(methylthio)- (CAS 7379-30-8)

InChI

InChI=1S/C4H10S2/c1-4(5-2)6-3/h4H,1-3H3

InChI Key

MEZARKNHCDZUJN-UHFFFAOYSA-N

Formula

C4H10S2

SMILES

CSC(C)SC

Molecular Weight¹

122.25

CAS

7379-30-8

Other Names

• Acetaldehyde, dimethyl mercaptal
• Acetaldehyde dimethyl thioacetal
• 1,1-Bis(methylsulfanyl)ethane
• 1,1-bis(Methylthio)ethane
• 3-Methyl-2,4-dithiapentane

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-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
ω	0.2518		Relay (1.0) Calculated Property
ΔfH°gas	-63.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.85	kJ/mol	Joback Calculated Property
ΔvapH°	45.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
logPoct/wat	2.058		Crippen Calculated Property
McVol	99.920	ml/mol	McGowan Calculated Property
Pc	4109.14	kPa	Joback Calculated Property
Inp	[935.00; 952.00]
Inp	952.00		NIST
Inp	935.00		NIST
Inp	952.00		NIST
Tboil	423.99	K	Relay (1.0) Calculated Property
Tc	626.00	K	Relay (1.0) Calculated Property
Tfus	194.29	K	Relay (1.0) Calculated Property
Vc	0.344	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[131.03; 279.41]	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			3.67700e+01
Coefficient B			3.78540e-01
Coefficient C			-1.16600e-04
Coefficient D			-1.93000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	131.03	J/mol×K	273.00	Calculated Property
Cp,gas	155.24	J/mol×K	353.78	Calculated Property
Cp,gas	177.66	J/mol×K	434.56	Calculated Property
Cp,gas	198.24	J/mol×K	515.33	Calculated Property
Cp,gas	216.90	J/mol×K	596.11	Calculated Property
Cp,gas	233.59	J/mol×K	676.89	Calculated Property
Cp,gas	248.25	J/mol×K	757.67	Calculated Property
Cp,gas	260.81	J/mol×K	838.44	Calculated Property
Cp,gas	271.22	J/mol×K	919.22	Calculated Property
Cp,gas	279.41	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethane, 1,1-bis(methylthio)-.

Sources

• Cheméo Relay (1.0)
• 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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