Chemical Properties of pyrrolidino[1,2-e]-4H-2,4-dimethyl-1,3,5-dithiazine

InChI

InChI=1S/C8H15NS2/c1-6-9-5-3-4-8(9)11-7(2)10-6/h6-8H,3-5H2,1-2H3

InChI Key

OJEOXDLLIADRBL-UHFFFAOYSA-N

Formula

C8H15NS2

SMILES

CC1SC(C)N2CCCC2S1

Molecular Weight¹

189.34

Other Names

• Pyrrolidino[1,2-e]-4H-1,3,5-dithiazine, 2,4-dimethyl

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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.
• I : 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	0.2986		Relay (... Calculated Property
ΔfG°	125.94	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-61.40	kJ/mol	Relay (... Calculated Property
ΔvapH°	68.55	kJ/mol	Relay (... Calculated Property
IE	7.90	eV	Relay (... Calculated Property
log10WS	-1.81		Relay (... Calculated Property
logPoct/wat	2.580		Crippen Calculated Property
McVol	144.540	ml/mol	McGowan Calculated Property
Pc	3013.81	kPa	Relay (... Calculated Property ⚠️
Inp	[1462.00; 1462.00]
Inp	1462.00		NIST
Inp	1462.00		NIST
Inp	1462.00		NIST
I	[1990.00; 1990.00]
I	1990.00		NIST
I	1990.00		NIST
Tboil	516.80	K	Relay (... Calculated Property
Tc	769.07	K	Relay (... Calculated Property
Tfus	376.87	K	Relay (... Calculated Property
Vc	0.494	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to pyrrolidino[1,2-e]-4H-2,4-dimethyl-1,3,5-dithiazine.

Sources

• 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
• McGowan Method
• NIST Webbook

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