Chemical Properties of Isopentyl iodoacetate

InChI

InChI=1S/C7H13IO2/c1-6(2)3-4-10-7(9)5-8/h6H,3-5H2,1-2H3

InChI Key

CZHSPKAGOLFNSB-UHFFFAOYSA-N

Formula

C7H13IO2

SMILES

CC(C)CCOC(=O)CI

Molecular Weight¹

256.08

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-432.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.14	kJ/mol	Joback Calculated Property
ΔvapH°	55.63	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.74		Relay (1.0) Calculated Property
logPoct/wat	2.011		Crippen Calculated Property
McVol	142.750	ml/mol	McGowan Calculated Property
Pc	2773.00	kPa	Joback Calculated Property
Inp	[1209.90; 1209.90]
Inp	1209.90		NIST
Inp	1209.90		NIST
Tboil	489.09	K	Relay (1.0) Calculated Property
Tc	711.21	K	Relay (1.0) Calculated Property
Tfus	242.19	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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	[285.20; 346.54]	J/mol×K	[510.68; 718.93]
Cp,gas	285.20	J/mol×K	510.68	Joback Calculated Property
Cp,gas	296.93	J/mol×K	545.39	Joback Calculated Property
Cp,gas	308.04	J/mol×K	580.10	Joback Calculated Property
Cp,gas	318.54	J/mol×K	614.80	Joback Calculated Property
Cp,gas	328.45	J/mol×K	649.51	Joback Calculated Property
Cp,gas	337.78	J/mol×K	684.22	Joback Calculated Property
Cp,gas	346.54	J/mol×K	718.93	Joback Calculated Property
η	[0.0002579; 0.0082636]	Pa×s	[254.04; 510.68]
η	0.0082636	Pa×s	254.04	Joback Calculated Property
η	0.0030578	Pa×s	296.81	Joback Calculated Property
η	0.0014535	Pa×s	339.59	Joback Calculated Property
η	0.0008160	Pa×s	382.36	Joback Calculated Property
η	0.0005146	Pa×s	425.13	Joback Calculated Property
η	0.0003530	Pa×s	467.91	Joback Calculated Property
η	0.0002579	Pa×s	510.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isopentyl iodoacetate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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