Chemical Properties of DIETHOFENCARB (CAS 87130-20-9)

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

CAS

87130-20-9

Other Names

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

• 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_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.
• 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	0.8199		Relay (... Calculated Property
ΔfG°	-196.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-733.54	kJ/mol	Relay (... Calculated Property
ΔfusH°	32.02	kJ/mol	Joback Calculated Property
ΔvapH°	92.44	kJ/mol	Relay (... Calculated Property
IE	7.62	eV	Relay (... Calculated Property
log10WS	-3.73		Relay (... Calculated Property
logPoct/wat	3.441		Crippen Calculated Property
McVol	213.520	ml/mol	McGowan Calculated Property
Pc	2014.51	kPa	Joback Calculated Property
Inp	[1979.00; 1993.00]
Inp	1993.00		NIST
Inp	1979.00		NIST
Inp	1993.00		NIST
Inp	1979.00		NIST
Tboil	590.42	K	Relay (... Calculated Property
Tc	819.24	K	Relay (... Calculated Property
Tfus	363.58	K	Relay (... Calculated Property
Vc	0.799	m3/kmol	Relay (... Calculated Property

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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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