Chemical Properties of Dioxacarb (CAS 6988-21-2)

InChI

InChI=1S/C11H13NO4/c1-12-11(13)16-9-5-3-2-4-8(9)10-14-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13)

InChI Key

SDKQRNRRDYRQKY-UHFFFAOYSA-N

Formula

C10H13NO4

SMILES

CNC(=O)Oc1ccccc1C1OCCO1

Molecular Weight¹

211.21

CAS

6988-21-2

Other Names

• 2-(1,3-Dioxolan-2-yl)phenyl methylcarbamate
• 2-(1,3-Dioxolan-2-yl)phenyl-N-methylcarbamat
• 2-(1,3-Dioxolane-2-yl)phenyl N-methylcarbamate
• C-8353
• CIBA 8353
• CIBA C 8353
• Carbamic acid, methyl-, o-(1,3-dioxolan-2-yl)phenyl ester
• DU PONT 1519
• Dioxacarbe
• Dioxocarb
• Du Pont insecticide 1519
• ENT 27,389
• Elecron 50
• Elocron
• Elocron 50WP
• Elocron 8353
• Famid
• MCDP
• NSC 190981
• Phenol, 2-(1,3-dioxolan-2-yl)-, methylcarbamate
• Rovlinka
• o-(1,3-Dioxolan-2-yl)phenyl methylcarbamate

• 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).
• 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°	-135.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-440.16	kJ/mol	Joback Calculated Property
ΔfusH°	35.68	kJ/mol	Joback Calculated Property
ΔvapH°	67.89	kJ/mol	Joback Calculated Property
log10WS	[-1.57; -1.57]
log10WS	-1.57		Aq. Sol...
log10WS	-1.57		Estimat...
logPoct/wat	1.450		Crippen Calculated Property
McVol	160.390	ml/mol	McGowan Calculated Property
Pc	3314.37	kPa	Joback Calculated Property
Tboil	678.38	K	Joback Calculated Property
Tc	912.51	K	Joback Calculated Property
Tfus	[387.65; 388.27]	K
Tfus	387.65	K	Aq. Sol...
Tfus	388.27 ± 0.20	K	NIST
Vc	0.586	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[443.15; 514.53]	J/mol×K	[678.38; 912.51]
Cp,gas	443.15	J/mol×K	678.38	Joback Calculated Property
Cp,gas	457.72	J/mol×K	717.40	Joback Calculated Property
Cp,gas	471.18	J/mol×K	756.42	Joback Calculated Property
Cp,gas	483.56	J/mol×K	795.45	Joback Calculated Property
Cp,gas	494.89	J/mol×K	834.47	Joback Calculated Property
Cp,gas	505.20	J/mol×K	873.49	Joback Calculated Property
Cp,gas	514.53	J/mol×K	912.51	Joback Calculated Property
ΔfusH	23.82	kJ/mol	387.20	NIST

Similar Compounds

Find more compounds similar to Dioxacarb.

Sources

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

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