Chemical Properties of Oxadiazon (CAS 19666-30-9)

InChI

InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3

InChI Key

CHNUNORXWHYHNE-UHFFFAOYSA-N

Formula

C15H18Cl2N2O3

SMILES

CC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl

Molecular Weight¹

345.22

CAS

19666-30-9

Other Names

• 1,3,4-Oxadiazol-2(3H)-one, 3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-
• 1,3,4-Oxazol-2(3H)-one, 3-(2,4-dichloro-5-(1-methylethoxy)phenyl)-5-(1,1-dimethylethyl)-
• 17623 RP
• 2-tert-Butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-1,3,4-oxadiazolin-5-one
• 3-(2,4-Dichloro-5-isopropyloxy-phenyl)-«delta»4-5-(tert-butyl)-1,3,4-oxadiazoline-2-one
• 3-(2,4-Dichloro-5-isopropyloxy-phenyl)-«delta»4-5-(tert-butyl)-1,3,4-oxadiazoline-2-one
• 3-[2,4-Dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
• 5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one
• G 315
• Oxadiazone
• Oxydiazon
• RP 17,623
• RP 17623
• Ronstar
• Ronstar 50W
• Scotts OH I
• «DELTA»2-1,3,4-Oxadiazolin-5-one, 2-tert-butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-
• «DELTA»2-1,3,4-Oxadiazolin-5-one, 2-tert-butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-
• «DELTA»2-1,3,4-Oxadiazolin-5-one, 2-tert-butyl-4-(2,4-dichloro-5-isopropoxyphenyl)-
• «DELTA»2-1,3,4-Oxadiazolin-5-one, 2-tert-butyl-4-(2,4-dichloro-5-isopropyloxyphenyl)-

• 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_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	0.7632		Relay (1.0) Calculated Property
ΔfG°	-58.49	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-420.17	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	98.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.52	eV	Relay (1.0) Calculated Property
log10WS	[-5.70; -5.69]
log10WS	-5.69		Aq. Solubility Prediction
log10WS	-5.70		Estimated Solubility
logPoct/wat	4.217		Crippen Calculated Property
McVol	241.040	ml/mol	McGowan Calculated Property
Pc	1474.80	kPa	Relay (1.0-beta) Calculated Property
Inp	[2138.00; 2200.00]
Inp	2159.00		NIST
Inp	2200.00		NIST
Inp	2182.00		NIST
Inp	2186.00		NIST
Inp	2182.00		NIST
Inp	2189.00		NIST
Inp	2198.00		NIST
Inp	2189.00		NIST
Inp	2187.00		NIST
Inp	2182.00		NIST
Inp	Outlier 2138.00		NIST
Inp	2182.00		NIST
Inp	2189.00		NIST
I	2948.00		NIST
Tboil	623.51	K	Relay (1.0) Calculated Property
Tc	901.83	K	Relay (1.0) Calculated Property
Tfus	361.25 ± 0.20	K	NIST
Vc	0.934	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Oxadiazon.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.