Chemical Properties of 1,14-Dichloro-3,9-dithia-6,12-dioxatetradecane

InChI

InChI=1S/C10H20Cl2O2S2/c11-1-3-13-4-9-16-10-6-14-5-8-15-7-2-12/h1-10H2

InChI Key

CCXAYKVGTLHLRL-UHFFFAOYSA-N

Formula

C10H20Cl2O2S2

SMILES

ClCCOCCSCCOCCSCCCl

Molecular Weight¹

307.30

• 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	0.6888		Relay (1.0) Calculated Property
ΔfG°	-134.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-497.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.69	kJ/mol	Joback Calculated Property
ΔvapH°	92.33	kJ/mol	Relay (1.0) Calculated Property
IE	9.15	eV	Relay (1.0) Calculated Property
log10WS	-2.76		Relay (1.0) Calculated Property
logPoct/wat	2.964		Crippen Calculated Property
McVol	220.680	ml/mol	McGowan Calculated Property
Pc	1971.80	kPa	Joback Calculated Property
Inp	[2200.00; 2280.40]
Inp	2200.00		NIST
Inp	2280.40		NIST
Inp	2200.00		NIST
Inp	2280.40		NIST
Inp	2200.00		NIST
Tboil	615.34	K	Relay (1.0) Calculated Property
Tc	838.58	K	Relay (1.0) Calculated Property
Tfus	246.93	K	Relay (1.0) Calculated Property
Vc	0.766	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[544.50; 615.84]	J/mol×K	[685.46; 889.59]
Cp,gas	544.50	J/mol×K	685.46	Joback Calculated Property
Cp,gas	558.40	J/mol×K	719.48	Joback Calculated Property
Cp,gas	571.51	J/mol×K	753.50	Joback Calculated Property
Cp,gas	583.82	J/mol×K	787.52	Joback Calculated Property
Cp,gas	595.32	J/mol×K	821.54	Joback Calculated Property
Cp,gas	605.99	J/mol×K	855.56	Joback Calculated Property
Cp,gas	615.84	J/mol×K	889.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,14-Dichloro-3,9-dithia-6,12-dioxatetradecane.

Sources

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

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