Chemical Properties of 1,3,5-Dithiazine, perhydro-2,6-dibutyl-4-methyl

InChI

InChI=1S/C12H25NS2/c1-4-6-8-11-13-10(3)14-12(15-11)9-7-5-2/h10-13H,4-9H2,1-3H3

InChI Key

FUHPSDAXOVSFJY-UHFFFAOYSA-N

Formula

C12H25NS2

SMILES

CCCCC1NC(C)SC(CCCC)S1

Molecular Weight¹

247.46

• 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	0.4734		Relay (... Calculated Property
ΔfG°	226.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-204.98	kJ/mol	Relay (... Calculated Property
ΔfusH°	37.72	kJ/mol	Joback Calculated Property
ΔvapH°	82.63	kJ/mol	Relay (... Calculated Property
IE	8.03	eV	Relay (... Calculated Property
log10WS	-4.08		Relay (... Calculated Property
logPoct/wat	4.435		Crippen Calculated Property
McVol	211.760	ml/mol	McGowan Calculated Property
Pc	2032.72	kPa	Joback Calculated Property
Inp	[1641.00; 1641.00]
Inp	1641.00		NIST
Inp	1641.00		NIST
Tboil	579.40	K	Relay (... Calculated Property
Tc	780.29	K	Relay (... Calculated Property
Tfus	331.31	K	Relay (... Calculated Property
Vc	0.740	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[560.51; 668.18]	J/mol×K	[628.38; 846.81]
Cp,gas	560.51	J/mol×K	628.38	Joback Calculated Property
Cp,gas	581.29	J/mol×K	664.78	Joback Calculated Property
Cp,gas	600.90	J/mol×K	701.19	Joback Calculated Property
Cp,gas	619.38	J/mol×K	737.59	Joback Calculated Property
Cp,gas	636.74	J/mol×K	774.00	Joback Calculated Property
Cp,gas	653.00	J/mol×K	810.40	Joback Calculated Property
Cp,gas	668.18	J/mol×K	846.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3,5-Dithiazine, perhydro-2,6-dibutyl-4-methyl.

Sources

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

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