Chemical Properties of 1,3-Benzodithiole,2-(1,3-benzodithiol-2-ylidene)- (CAS 24648-13-3)

InChI

InChI=1S/C14H8S4/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14/h1-8H

InChI Key

OVIRUXIWCFZJQC-UHFFFAOYSA-N

Formula

C14H8S4

SMILES

c1ccc2c(c1)SC(=C1Sc3ccccc3S1)S2

Molecular Weight¹

304.47

CAS

24648-13-3

• 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°	579.62	kJ/mol	Joback Calculated Property
ΔfH°gas	519.99	kJ/mol	Joback Calculated Property
ΔfusH°	28.52	kJ/mol	Joback Calculated Property
ΔvapH°	77.94	kJ/mol	Joback Calculated Property
IE	[6.68; 6.81]	eV
IE	6.68	eV	NIST
IE	6.81	eV	NIST
log10WS	-6.88		Crippen Calculated Property
logPoct/wat	5.909		Crippen Calculated Property
McVol	199.980	ml/mol	McGowan Calculated Property
Pc	3801.00	kPa	Joback Calculated Property
Tboil	806.30	K	Joback Calculated Property
Tc	1132.20	K	Joback Calculated Property
Tfus	729.38	K	Joback Calculated Property
Vc	0.690	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[471.67; 541.93]	J/mol×K	[806.30; 1132.20]
Cp,gas	471.67	J/mol×K	806.30	Joback Calculated Property
Cp,gas	483.71	J/mol×K	860.62	Joback Calculated Property
Cp,gas	495.10	J/mol×K	914.93	Joback Calculated Property
Cp,gas	506.24	J/mol×K	969.25	Joback Calculated Property
Cp,gas	517.50	J/mol×K	1023.57	Joback Calculated Property
Cp,gas	529.27	J/mol×K	1077.88	Joback Calculated Property
Cp,gas	541.93	J/mol×K	1132.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Benzodithiole,2-(1,3-benzodithiol-2-ylidene)-.

Sources

• 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.