Chemical Properties of 3,9,12-Trithia-6-oxa-14-chloro-1-tetradecene

InChI

InChI=1S/C10H19ClOS3/c1-2-13-7-4-12-5-8-15-10-9-14-6-3-11/h2H,1,3-10H2

InChI Key

OCBZLAXMLHXLDP-UHFFFAOYSA-N

Formula

C10H19ClOS3

SMILES

C=CSCCOCCSCCSCCCl

Molecular Weight¹

286.90

• 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°	103.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-146.65	kJ/mol	Joback Calculated Property
ΔfusH°	38.15	kJ/mol	Joback Calculated Property
ΔvapH°	64.43	kJ/mol	Joback Calculated Property
log10WS	-3.25		Crippen Calculated Property
logPoct/wat	3.585		Crippen Calculated Property
McVol	214.620	ml/mol	McGowan Calculated Property
Pc	2185.64	kPa	Joback Calculated Property
Inp	[2161.00; 2161.00]
Inp	2161.00		NIST
Inp	2161.00		NIST
Inp	2161.00		NIST
Tboil	691.07	K	Joback Calculated Property
Tc	912.64	K	Joback Calculated Property
Tfus	356.05	K	Joback Calculated Property
Vc	0.805	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[523.08; 594.36]	J/mol×K	[691.07; 912.64]
Cp,gas	523.08	J/mol×K	691.07	Joback Calculated Property
Cp,gas	537.28	J/mol×K	728.00	Joback Calculated Property
Cp,gas	550.55	J/mol×K	764.93	Joback Calculated Property
Cp,gas	562.90	J/mol×K	801.85	Joback Calculated Property
Cp,gas	574.31	J/mol×K	838.78	Joback Calculated Property
Cp,gas	584.80	J/mol×K	875.71	Joback Calculated Property
Cp,gas	594.36	J/mol×K	912.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,9,12-Trithia-6-oxa-14-chloro-1-tetradecene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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