Chemical Properties of Carbamic acid, (2-(4-phenoxyphenoxy)ethyl)-, ethyl ester (CAS 79127-80-3)

InChI

InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)

InChI Key

HJUFTIJOISQSKQ-UHFFFAOYSA-N

Formula

C17H19NO4

SMILES

CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1

Molecular Weight¹

301.34

CAS

79127-80-3

Other Names

• (2-(4-Phenoxyphenoxy)ethyl)carbamic acid ethyl ester
• Ethyl (2-(4-phenoxyphenoxy)ethyl)carbamate
• Fenoxycarb
• Insegar
• Ro 13-5223
• ethyl 2-(p-phenoxyphenoxy)ethylcarbamate
• ethyl [2-(4-phenoxyphenoxy)ethyl]carbamate

• 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).
• 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
ΔfG°	-47.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-388.39	kJ/mol	Joback Calculated Property
ΔfusH°	37.74	kJ/mol	Joback Calculated Property
ΔvapH°	79.06	kJ/mol	Joback Calculated Property
log10WS	[-4.72; -4.70]
log10WS	-4.70		Aq. Sol...
log10WS	-4.70		Estimat...
log10WS	-4.72		Rytting...
logPoct/wat	3.604		Crippen Calculated Property
McVol	232.030	ml/mol	McGowan Calculated Property
Pc	2108.07	kPa	Joback Calculated Property
Inp	370.30		NIST
Tboil	818.00	K	Joback Calculated Property
Tc	1041.45	K	Joback Calculated Property
Tfus	[326.48; 326.62]	K
Tfus	326.48	K	Aq. Sol...
Tfus	326.62	K	Thermod...
Vc	0.867	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[680.09; 746.76]	J/mol×K	[818.00; 1041.45]
Cp,gas	680.09	J/mol×K	818.00	Joback Calculated Property
Cp,gas	694.29	J/mol×K	855.24	Joback Calculated Property
Cp,gas	707.23	J/mol×K	892.48	Joback Calculated Property
Cp,gas	718.94	J/mol×K	929.73	Joback Calculated Property
Cp,gas	729.41	J/mol×K	966.97	Joback Calculated Property
Cp,gas	738.68	J/mol×K	1004.21	Joback Calculated Property
Cp,gas	746.76	J/mol×K	1041.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carbamic acid, (2-(4-phenoxyphenoxy)ethyl)-, ethyl ester.

Mixtures

• Carbamic acid, (2-(4-phenoxyphenoxy)ethyl)-, ethyl ester + Isopropyl Alcohol
• Carbamic acid, (2-(4-phenoxyphenoxy)ethyl)-, ethyl ester + Methyl Alcohol
• Carbamic acid, (2-(4-phenoxyphenoxy)ethyl)-, ethyl ester + Ethanol
• Carbamic acid, (2-(4-phenoxyphenoxy)ethyl)-, ethyl ester + Ethyl Acetate
• Toluene + Carbamic acid, (2-(4-phenoxyphenoxy)ethyl)-, ethyl ester

Sources

• Crippen Method
• Thermodynamics of fenoxycarb in solution
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• McGowan Method
• NIST Webbook

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