Chemical Properties of Hexyl iodoacetate

InChI

InChI=1S/C8H15IO2/c1-2-3-4-5-6-11-8(10)7-9/h2-7H2,1H3

InChI Key

XJOFYNWBVZSJJZ-UHFFFAOYSA-N

Formula

C8H15IO2

SMILES

CCCCCCOC(=O)CI

Molecular Weight¹

270.11

• ω : Acentric Factor.
• 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).
• 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	0.5761		Relay (1.0) Calculated Property
ΔfH°gas	-446.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.25	kJ/mol	Joback Calculated Property
ΔvapH°	60.52	kJ/mol	Relay (1.0) Calculated Property
IE	9.58	eV	Relay (1.0) Calculated Property
log10WS	-3.39		Relay (1.0) Calculated Property
logPoct/wat	2.545		Crippen Calculated Property
McVol	156.840	ml/mol	McGowan Calculated Property
Pc	2492.52	kPa	Joback Calculated Property
Inp	[1349.90; 1382.30]
Inp	1349.90		NIST
Inp	1382.30		NIST
Inp	1349.90		NIST
Tboil	514.47	K	Relay (1.0) Calculated Property
Tc	731.58	K	Relay (1.0) Calculated Property
Tfus	253.65	K	Relay (1.0) Calculated Property
Vc	0.569	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[328.78; 393.86]	J/mol×K	[534.00; 734.78]
Cp,gas	328.78	J/mol×K	534.00	Joback Calculated Property
Cp,gas	341.17	J/mol×K	567.46	Joback Calculated Property
Cp,gas	352.92	J/mol×K	600.93	Joback Calculated Property
Cp,gas	364.05	J/mol×K	634.39	Joback Calculated Property
Cp,gas	374.57	J/mol×K	667.85	Joback Calculated Property
Cp,gas	384.50	J/mol×K	701.32	Joback Calculated Property
Cp,gas	393.86	J/mol×K	734.78	Joback Calculated Property
η	[0.0002439; 0.0052313]	Pa×s	[280.31; 534.00]
η	0.0052313	Pa×s	280.31	Joback Calculated Property
η	0.0022453	Pa×s	322.59	Joback Calculated Property
η	0.0011724	Pa×s	364.87	Joback Calculated Property
η	0.0007007	Pa×s	407.15	Joback Calculated Property
η	0.0004613	Pa×s	449.44	Joback Calculated Property
η	0.0003264	Pa×s	491.72	Joback Calculated Property
η	0.0002439	Pa×s	534.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hexyl iodoacetate.

Sources

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

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