Chemical Properties of Decyl iodoacetate

InChI

InChI=1S/C12H23IO2/c1-2-3-4-5-6-7-8-9-10-15-12(14)11-13/h2-11H2,1H3

InChI Key

AGVSPEVKOGZSKF-UHFFFAOYSA-N

Formula

C12H23IO2

SMILES

CCCCCCCCCCOC(=O)CI

Molecular Weight¹

326.21

• 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	0.7267		Relay (1.0) Calculated Property
ΔfH°gas	-535.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.61	kJ/mol	Joback Calculated Property
ΔvapH°	76.78	kJ/mol	Relay (1.0) Calculated Property
IE	9.43	eV	Relay (1.0) Calculated Property
log10WS	-4.99		Relay (1.0) Calculated Property
logPoct/wat	4.105		Crippen Calculated Property
McVol	213.200	ml/mol	McGowan Calculated Property
Pc	1755.07	kPa	Joback Calculated Property
Inp	[1782.00; 1782.00]
Inp	1782.00		NIST
Inp	1782.00		NIST
Tboil	572.94	K	Relay (1.0) Calculated Property
Tc	774.97	K	Relay (1.0) Calculated Property
Tfus	284.09	K	Relay (1.0) Calculated Property
Vc	0.790	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	[521.73; 601.73]	J/mol×K	[625.52; 816.17]
Cp,gas	521.73	J/mol×K	625.52	Joback Calculated Property
Cp,gas	536.96	J/mol×K	657.30	Joback Calculated Property
Cp,gas	551.40	J/mol×K	689.07	Joback Calculated Property
Cp,gas	565.08	J/mol×K	720.85	Joback Calculated Property
Cp,gas	578.01	J/mol×K	752.62	Joback Calculated Property
Cp,gas	590.22	J/mol×K	784.40	Joback Calculated Property
Cp,gas	601.73	J/mol×K	816.17	Joback Calculated Property
η	[0.0001478; 0.0037094]	Pa×s	[325.39; 625.52]
η	0.0037094	Pa×s	325.39	Joback Calculated Property
η	0.0015158	Pa×s	375.41	Joback Calculated Property
η	0.0007645	Pa×s	425.43	Joback Calculated Property
η	0.0004453	Pa×s	475.45	Joback Calculated Property
η	0.0002875	Pa×s	525.48	Joback Calculated Property
η	0.0002003	Pa×s	575.50	Joback Calculated Property
η	0.0001478	Pa×s	625.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Decyl iodoacetate.

Sources

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

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