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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.08; 398.28]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.19430e+01
Coefficient B			6.58940e-01
Coefficient C			-3.47000e-04
Coefficient D			5.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	187.08	J/mol×K	273.00	Calculated Property
Cp,gas	224.04	J/mol×K	353.78	Calculated Property
Cp,gas	257.23	J/mol×K	434.56	Calculated Property
Cp,gas	286.81	J/mol×K	515.33	Calculated Property
Cp,gas	312.96	J/mol×K	596.11	Calculated Property
Cp,gas	335.86	J/mol×K	676.89	Calculated Property
Cp,gas	355.66	J/mol×K	757.67	Calculated Property
Cp,gas	372.55	J/mol×K	838.44	Calculated Property
Cp,gas	386.70	J/mol×K	919.22	Calculated Property
Cp,gas	398.28	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0082636; 0.0002714]	Pa×s	[254.04; 503.25]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.16945e+01
Coefficient B			1.75252e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			254.04
Temperature range, max.			503.25
η	0.0082636	Pa×s	254.04	Calculated Property
η	0.0041947	Pa×s	281.73	Calculated Property
η	0.0024040	Pa×s	309.42	Calculated Property
η	0.0015097	Pa×s	337.11	Calculated Property
η	0.0010175	Pa×s	364.80	Calculated Property
η	0.0007250	Pa×s	392.49	Calculated Property
η	0.0005402	Pa×s	420.18	Calculated Property
η	0.0004174	Pa×s	447.87	Calculated Property
η	0.0003323	Pa×s	475.56	Calculated Property
η	0.0002714	Pa×s	503.25	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

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.
These property values are available through the Cheméo API. A free account gives you an access key.