Chemical Properties of Endosulfan (CAS 115-29-7)

InChI

InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2

InChI Key

RDYMFSUJUZBWLH-UHFFFAOYSA-N

Formula

C9H6Cl6O3S

SMILES

O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl

Molecular Weight¹

406.93

CAS

115-29-7

Other Names

• 6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide
• 5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite
• Beosit
• BIO 5,462
• Chlorthiepin
• Endosulfan 35EC
• Endosulphan
• ENT 23,979
• HOE 2,671
• Malix
• Niagara 5,462
• OMS 570
• SD 4314
• Thimul
• Thiodan
• 6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzo[e]-dioxathiepin-3-oxide
• Thiodan rophen
• 6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzo-dioxathiepin 3-oxide
• Benzoepin
• Chlortiepin
• Devisulphan
• Endocel
• Endosol
• FMC 5462
• Hildan
• Insectophene
• Rasayansulfan
• Thifor
• Thionex
• Thiosulfan
• 1,4,5,6,7,7-Hexachloro-5-norbornene-2,3-dimethanol cyclic sulfite
• Endotaf
• Sialan
• Thiodan 35
• Thiotox
• Thiotox (insecticide)
• Tionex
• Tiovel
• 6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide (endosulfan)

• 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_fusH : Enthalpy of fusion at a given temperature (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	0.4068		Relay (... Calculated Property
ΔfG°	-305.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-507.03	kJ/mol	Relay (... Calculated Property
ΔfusH°	39.28	kJ/mol	Joback Calculated Property
ΔvapH°	115.86	kJ/mol	Relay (... Calculated Property
IE	9.76	eV	Relay (... Calculated Property
log10WS	-5.34		Relay (... Calculated Property
logPoct/wat	3.690		Crippen Calculated Property
McVol	208.190	ml/mol	McGowan Calculated Property
Pc	3384.14	kPa	Joback Calculated Property
Inp	[2177.00; 2192.00]
Inp	2177.00		NIST
Inp	2192.00		NIST
Inp	2177.00		NIST
I	[2879.00; 2879.00]
I	2879.00		NIST
I	2879.00		NIST
I	2879.00		NIST
Tboil	647.32	K	Relay (... Calculated Property
Tc	973.82	K	Relay (... Calculated Property
Tfus	397.55	K	Relay (... Calculated Property
Vc	0.727	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[476.43; 582.64]	J/mol×K	[754.66; 1036.70]
Cp,gas	476.43	J/mol×K	754.66	Joback Calculated Property
Cp,gas	488.77	J/mol×K	801.67	Joback Calculated Property
Cp,gas	502.31	J/mol×K	848.67	Joback Calculated Property
Cp,gas	517.78	J/mol×K	895.68	Joback Calculated Property
Cp,gas	535.85	J/mol×K	942.69	Joback Calculated Property
Cp,gas	557.24	J/mol×K	989.70	Joback Calculated Property
Cp,gas	582.64	J/mol×K	1036.70	Joback Calculated Property
ΔfusH	16.52	kJ/mol	368.00	NIST

Similar Compounds

Find more compounds similar to Endosulfan.

Sources

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

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