Chemical Properties of Pendimethalin (CAS 40487-42-1)

InChI

InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3

InChI Key

CHIFOSRWCNZCFN-UHFFFAOYSA-N

Formula

C13H19N3O4

SMILES

CCC(CC)Nc1c([N+](=O)[O-])cc(C)c(C)c1[N+](=O)[O-]

Molecular Weight¹

281.31

CAS

40487-42-1

Other Names

• Penoxaline
• Benzenamine, N-(1-ethylpropyl)-3,4-dimethyl-2,6-dinitro-
• Ac 92553
• Prowl
• Stomp
• Penoxalin
• Accotab
• Go-Go-San
• Herbadox
• Herbodox
• N-(1-Ethylpropyl)-3,4-dimethyl-2,6-dinitrobenzenamine
• Pre-M 60DG
• Prowl 3.3
• Prowl 4E
• Sipaxol
• Way Up
• Aniline, 3,4-dimethyl-2,6-dinitro-N-(1-ethylpropyl)-
• Pendimethaline
• 3,4-Dimethyl-2,6-dinitro-N-(1-ethylpropyl)aniline
• N-(1-Ethylpropyl)-2,6-dinitro-3,4-xylidine
• Phenoxalin
• Southern Weed Grass Control
• Stomp 330D
• Stomp 330E
• SWGC

• 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	0.8158		Relay (1.0) Calculated Property
ΔfG°	290.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-86.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.21	kJ/mol	Joback Calculated Property
ΔvapH°	90.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
log10WS	-5.11		Relay (1.0) Calculated Property
logPoct/wat	3.720		Crippen Calculated Property
McVol	215.090	ml/mol	McGowan Calculated Property
Pc	2163.33	kPa	Joback Calculated Property
Inp	[1988.00; 2077.00]
Inp	2038.00		NIST
Inp	2044.00		NIST
Inp	2077.00		NIST
Inp	2046.00		NIST
Inp	2047.00		NIST
Inp	2038.00		NIST
Inp	Outlier 1988.00		NIST
Inp	2038.00		NIST
Inp	2077.00		NIST
I	2768.00		NIST
Tboil	594.34	K	Relay (1.0) Calculated Property
Tc	900.90	K	Relay (1.0) Calculated Property
Tfus	327.85 ± 0.20	K	NIST
Vc	0.729	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[660.15; 718.82]	J/mol×K	[896.85; 1140.92]
Cp,gas	660.15	J/mol×K	896.85	Joback Calculated Property
Cp,gas	672.42	J/mol×K	937.53	Joback Calculated Property
Cp,gas	683.63	J/mol×K	978.21	Joback Calculated Property
Cp,gas	693.82	J/mol×K	1018.88	Joback Calculated Property
Cp,gas	703.05	J/mol×K	1059.56	Joback Calculated Property
Cp,gas	711.37	J/mol×K	1100.24	Joback Calculated Property
Cp,gas	718.82	J/mol×K	1140.92	Joback Calculated Property
ΔfusH	25.19	kJ/mol	327.50	NIST

Similar Compounds

Find more compounds similar to Pendimethalin.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback 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.