Chemical Properties of «alpha»-Endosulfan (CAS 959-98-8)

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/t3-,4+,7-,8-,19?/m1/s1

InChI Key

RDYMFSUJUZBWLH-AMHWMVONSA-N

Formula

C9H6Cl6O3S

SMILES

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

Molecular Weight¹

406.93

CAS

959-98-8

Other Names

• Endosulfan I
• 6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide, (3«alpha»,5a«beta»,6«alpha»,9«alpha»,9a«beta»)-
• 5-Norbornene-2,3-dimethanol, 1,4,5,6,7,7-hexachloro-, cyclic sulfite, endo-
• «alpha»-Thiodan
• Endosulfan, «alpha»-
• Endosulfan 1
• Endosulfan A
• «alpha»-Benzoepin
• «beta»-Thionex

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• 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
ΔfG°	-305.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-550.08	kJ/mol	Joback Calculated Property
ΔfusH°	39.28	kJ/mol	Joback Calculated Property
ΔvapH°	80.48	kJ/mol	Joback Calculated Property
log10WS	-4.17		Crippen 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	[2085.00; 2152.00]
Inp	2100.00		NIST
Inp	2120.00		NIST
Inp	2085.00		NIST
Inp	2135.00		NIST
Inp	2085.00		NIST
Inp	2152.00		NIST
Inp	2150.00		NIST
Inp	2085.00		NIST
Inp	2086.00		NIST
Inp	2085.00		NIST
I	[2880.00; 2880.00]
I	2880.00		NIST
I	2880.00		NIST
Tboil	754.66	K	Joback Calculated Property
Tc	1036.70	K	Joback Calculated Property
Tfus	381.27 ± 0.20	K	NIST
Vc	0.782	m3/kmol	Joback 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	10.00	kJ/mol	380.00	NIST
ΔvapH	80.40	kJ/mol	398.00	NIST

Similar Compounds

Find more compounds similar to «alpha»-Endosulfan.

Sources

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

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