Chemical Properties of Carbamic acid, 4-iodophenyl, ethyl ester (CAS 77774-39-1)

InChI

InChI=1S/C9H10INO2/c1-2-13-9(12)11-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H,11,12)

InChI Key

JUQOQFNQIBKYRA-UHFFFAOYSA-N

Formula

C9H10INO2

SMILES

CCOC(=O)Nc1ccc(I)cc1

Molecular Weight¹

291.09

CAS

77774-39-1

• 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°	41.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-118.49	kJ/mol	Joback Calculated Property
ΔfusH°	25.01	kJ/mol	Joback Calculated Property
ΔvapH°	63.53	kJ/mol	Joback Calculated Property
log10WS	-3.31		Crippen Calculated Property
logPoct/wat	2.860		Crippen Calculated Property
McVol	157.150	ml/mol	McGowan Calculated Property
Pc	3345.11	kPa	Joback Calculated Property
Inp	[1776.00; 1790.00]
Inp	1776.00		NIST
Inp	1790.00		NIST
Tboil	656.58	K	Joback Calculated Property
Tc	901.16	K	Joback Calculated Property
Tfus	413.01	K	Joback Calculated Property
Vc	0.579	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[345.24; 400.66]	J/mol×K	[656.58; 901.16]
Cp,gas	345.24	J/mol×K	656.58	Joback Calculated Property
Cp,gas	356.49	J/mol×K	697.34	Joback Calculated Property
Cp,gas	366.90	J/mol×K	738.11	Joback Calculated Property
Cp,gas	376.48	J/mol×K	778.87	Joback Calculated Property
Cp,gas	385.28	J/mol×K	819.63	Joback Calculated Property
Cp,gas	393.33	J/mol×K	860.39	Joback Calculated Property
Cp,gas	400.66	J/mol×K	901.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carbamic acid, 4-iodophenyl, ethyl ester.

Sources

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

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