Chemical Properties of Isazophos (CAS 65357-77-9)

InChI

InChI=1S/C9H17ClN3O3PS/c1-5-14-17(18,15-6-2)16-9-11-8(10)13(12-9)7(3)4/h7H,5-6H2,1-4H3

InChI Key

XRHGWAGWAHHFLF-UHFFFAOYSA-N

Formula

C9H17ClN3O3PS

SMILES

CCOP(=S)(OCC)Oc1nc(Cl)n(C(C)C)n1

Molecular Weight¹

313.74

CAS

65357-77-9

Other Names

• Isazofos
• Isozophos

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	0.6127		Relay (1.0) Calculated Property
ΔfG°	-25.97	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-490.86	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	84.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.75	eV	Relay (1.0) Calculated Property
log10WS	-4.46		Relay (1.0) Calculated Property
logPoct/wat	3.189		Crippen Calculated Property
McVol	214.810	ml/mol	McGowan Calculated Property
Pc	1899.00	kPa	Relay (1.0-beta) Calculated Property
Inp	[1815.00; 1815.00]
Inp	1815.00		NIST
Inp	1815.00		NIST
Tboil	586.73	K	Relay (1.0) Calculated Property
Tc	803.91	K	Relay (1.0) Calculated Property
Tfus	319.53	K	Relay (1.0) Calculated Property
Vc	0.820	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Isazophos.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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