Chemical Properties of DIETHOFENCARB

InChI

InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)

InChI Key

LNJNFVJKDJYTEU-UHFFFAOYSA-N

Formula

C14H21NO4

SMILES

CCOc1ccc(NC(=O)OC(C)C)cc1OCC

Molecular Weight¹

267.32

Other Names

• Isopropyl N-(3,4-diethoxyphenyl)carbamate
• Carbamic acid, N-(3,4-diethoxyphenyl)-, 1-methylethyl ester
• *

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	32.02	kJ/mol	Joback Calculated Property
log10WS	-3.73		Relay (1.0) Calculated Property
logPoct/wat	3.441		Crippen Calculated Property
McVol	213.520	ml/mol	McGowan Calculated Property
Inp	[1979.00; 1993.00]
Inp	1993.00		NIST
Inp	1979.00		NIST
Inp	1979.00		NIST
Inp	1993.00		NIST
Tfus	357.16	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[603.78; 680.47]	J/mol×K	[727.22; 929.92]
Cp,gas	603.78	J/mol×K	727.22	Joback Calculated Property
Cp,gas	618.92	J/mol×K	761.00	Joback Calculated Property
Cp,gas	633.13	J/mol×K	794.79	Joback Calculated Property
Cp,gas	646.39	J/mol×K	828.57	Joback Calculated Property
Cp,gas	658.71	J/mol×K	862.35	Joback Calculated Property
Cp,gas	670.07	J/mol×K	896.14	Joback Calculated Property
Cp,gas	680.47	J/mol×K	929.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to DIETHOFENCARB.

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
• 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.
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