Chemical Properties of N,N-Dimethyl-1,2,3-trithian-5-amine (CAS 31895-21-3)

InChI

InChI=1S/C5H11NS3/c1-6(2)5-3-7-9-8-4-5/h5H,3-4H2,1-2H3

InChI Key

DNVLJEWNNDHELH-UHFFFAOYSA-N

Formula

C5H11NS3

SMILES

CN(C)C1CSSSC1

Molecular Weight¹

181.34

CAS

31895-21-3

Other Names

• Thiocyclam
• 1,2,3-Trithian-5-amine, N,N-dimethyl-
• Evisekt
• Thiocyclam, methyl ester

• 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).
• 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
ΔfG°	246.03	kJ/mol	Joback Calculated Property
ΔfH°gas	111.10	kJ/mol	Joback Calculated Property
ΔfusH°	14.53	kJ/mol	Joback Calculated Property
ΔvapH°	46.63	kJ/mol	Joback Calculated Property
log10WS	-2.12		Crippen Calculated Property
logPoct/wat	1.960		Crippen Calculated Property
McVol	129.480	ml/mol	McGowan Calculated Property
Pc	4368.40	kPa	Joback Calculated Property
Inp	[1468.00; 1522.00]
Inp	1468.00		NIST
Inp	1513.00		NIST
Inp	1522.00		NIST
Inp	1522.00		NIST
Inp	1468.00		NIST
Tboil	489.28	K	Joback Calculated Property
Tc	744.48	K	Joback Calculated Property
Tfus	436.31	K	Joback Calculated Property
Vc	0.405	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[258.37; 333.58]	J/mol×K	[489.28; 744.48]
Cp,gas	258.37	J/mol×K	489.28	Joback Calculated Property
Cp,gas	273.47	J/mol×K	531.81	Joback Calculated Property
Cp,gas	287.46	J/mol×K	574.35	Joback Calculated Property
Cp,gas	300.42	J/mol×K	616.88	Joback Calculated Property
Cp,gas	312.38	J/mol×K	659.42	Joback Calculated Property
Cp,gas	323.42	J/mol×K	701.95	Joback Calculated Property
Cp,gas	333.58	J/mol×K	744.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to N,N-Dimethyl-1,2,3-trithian-5-amine.

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.