Chemical Properties of Oryzalin (CAS 19044-88-3)

InChI

InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)

InChI Key

UNAHYJYOSSSJHH-UHFFFAOYSA-N

Formula

C12H18N4O6S

SMILES

CCCN(CCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-]

Molecular Weight¹

346.36

CAS

19044-88-3

Other Names

• 3,5-Dinitro-N4,N4-dipropylsulfanilamide
• 4-(Dipropylamino)-3,5-dinitrobenzenesulfonamide
• 4-(N,N-dipropylamino)-3,5-dinitrobenzenesulphonamide
• Benzenesulfonamide, 4-(dipropylamino)-3,5-dinitro-
• Dirimal
• EL 119
• N4,N4-Dipropyl-3,5-dinitrosulfanilamide
• NSC 648479
• Rizelan
• Rycelan
• Rycelon
• Ryzelan
• Sulfanilamide, 3,5-dinitro-N4,N4-dipropyl-
• Surflan

• 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).
• 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°	-86.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-462.44	kJ/mol	Joback Calculated Property
ΔfusH°	62.03	kJ/mol	Joback Calculated Property
ΔvapH°	111.07	kJ/mol	Joback Calculated Property
log10WS	[-5.16; -5.16]
log10WS	-5.16		Aq. Sol...
log10WS	-5.16		Estimat...
logPoct/wat	1.777		Crippen Calculated Property
McVol	239.070	ml/mol	McGowan Calculated Property
Pc	2921.84	kPa	Joback Calculated Property
Inp	2619.00		NIST
Tboil	952.01	K	Joback Calculated Property
Tc	1192.53	K	Joback Calculated Property
Tfus	415.48 ± 0.20	K	NIST
Vc	0.936	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[735.32; 774.09]	J/mol×K	[952.01; 1192.53]
Cp,gas	735.32	J/mol×K	952.01	Joback Calculated Property
Cp,gas	744.75	J/mol×K	992.10	Joback Calculated Property
Cp,gas	752.94	J/mol×K	1032.18	Joback Calculated Property
Cp,gas	759.93	J/mol×K	1072.27	Joback Calculated Property
Cp,gas	765.76	J/mol×K	1112.36	Joback Calculated Property
Cp,gas	770.46	J/mol×K	1152.44	Joback Calculated Property
Cp,gas	774.09	J/mol×K	1192.53	Joback Calculated Property
ΔfusH	38.48	kJ/mol	414.80	NIST

Similar Compounds

Find more compounds similar to Oryzalin.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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