Chemical Properties of Tetramethyltetrathiafulvalene (CAS 50708-37-7)

InChI

InChI=1S/C10H12S4/c1-5-6(2)12-9(11-5)10-13-7(3)8(4)14-10/h1-4H3

InChI Key

HGOTVGUTJPNVDR-UHFFFAOYSA-N

Formula

C10H12S4

SMILES

CC1=C(C)SC(=C2SC(C)=C(C)S2)S1

Molecular Weight¹

260.46

CAS

50708-37-7

Other Names

• 1,3-Dithiole,2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-
• 4,5,4',5'-Tetramethyl-[2,2']bi[[1,3]dithiolindene]

• 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).
• 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).
• P_c : Critical Pressure (kPa).
• 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°	313.38	kJ/mol	Joback Calculated Property
ΔfH°gas	197.47	kJ/mol	Joback Calculated Property
ΔfusH°	23.34	kJ/mol	Joback Calculated Property
ΔvapH°	67.08	kJ/mol	Joback Calculated Property
IE	[6.03; 6.40]	eV
IE	6.03	eV	NIST
IE	6.40	eV	NIST
log10WS	-6.86		Crippen Calculated Property
logPoct/wat	5.576		Crippen Calculated Property
McVol	182.540	ml/mol	McGowan Calculated Property
Pc	3235.66	kPa	Joback Calculated Property
Tboil	686.78	K	Joback Calculated Property
Tc	972.62	K	Joback Calculated Property
Tfus	643.94	K	Joback Calculated Property
Vc	0.622	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[409.31; 476.49]	J/mol×K	[686.78; 972.62]
Cp,gas	409.31	J/mol×K	686.78	Joback Calculated Property
Cp,gas	422.56	J/mol×K	734.42	Joback Calculated Property
Cp,gas	434.87	J/mol×K	782.06	Joback Calculated Property
Cp,gas	446.32	J/mol×K	829.70	Joback Calculated Property
Cp,gas	457.02	J/mol×K	877.34	Joback Calculated Property
Cp,gas	467.04	J/mol×K	924.98	Joback Calculated Property
Cp,gas	476.49	J/mol×K	972.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tetramethyltetrathiafulvalene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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