Chemical Properties of 4H-1,3-Dithiin, 4-methyl-2-(1-propenyl)- (CAS 60051-35-6)

InChI

InChI=1S/C8H12S2/c1-3-4-8-9-6-5-7(2)10-8/h3-8H,1-2H3/b4-3+

InChI Key

ALDAFTNRTWJFQH-ONEGZZNKSA-N

Formula

C8H12S2

SMILES

CC=CC1SC=CC(C)S1

Molecular Weight¹

172.31

CAS

60051-35-6

Other Names

• 4-Methyl-2-propenyl-4H-[1,3]dithiine

• ω : Acentric Factor.
• 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).
• 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	0.2013		Relay (1.0) Calculated Property
ΔfG°	223.12	kJ/mol	Joback Calculated Property
ΔfH°gas	29.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.12	kJ/mol	Joback Calculated Property
ΔvapH°	64.55	kJ/mol	Relay (1.0) Calculated Property
IE	7.84	eV	Relay (1.0) Calculated Property
log10WS	-3.16		Relay (1.0) Calculated Property
logPoct/wat	3.271		Crippen Calculated Property
McVol	136.820	ml/mol	McGowan Calculated Property
Pc	3310.55	kPa	Joback Calculated Property
Inp	[1331.00; 1331.00]
Inp	1331.00		NIST
Inp	1331.00		NIST
Tboil	486.11	K	Relay (1.0) Calculated Property
Tc	670.43	K	Relay (1.0) Calculated Property
Tfus	286.06	K	Relay (1.0) Calculated Property
Vc	0.445	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[278.26; 360.07]	J/mol×K	[496.30; 741.38]
Cp,gas	278.26	J/mol×K	496.30	Joback Calculated Property
Cp,gas	294.45	J/mol×K	537.15	Joback Calculated Property
Cp,gas	309.55	J/mol×K	577.99	Joback Calculated Property
Cp,gas	323.60	J/mol×K	618.84	Joback Calculated Property
Cp,gas	336.67	J/mol×K	659.69	Joback Calculated Property
Cp,gas	348.81	J/mol×K	700.53	Joback Calculated Property
Cp,gas	360.07	J/mol×K	741.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4H-1,3-Dithiin, 4-methyl-2-(1-propenyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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