Chemical Properties of ethyl hexanoate-d11

InChI

InChI=1S/C8H16O2/c1-3-5-6-7-8(9)10-4-2/h3-7H2,1-2H3/i1D3,3D2,5D2,6D2,7D2

InChI Key

SHZIWNPUGXLXDT-LELBNVJRSA-N

Formula

C8H16O2

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OCC

Molecular Weight¹

155.28

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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 : 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	0.4098		Relay (1.0) Calculated Property
ΔfG°	-293.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-1250.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.85	kJ/mol	Joback Calculated Property
ΔvapH°	50.63	kJ/mol	Relay (1.0) Calculated Property
IE	10.06	eV	Relay (1.0) Calculated Property
log10WS	-4.79		Relay (1.0) Calculated Property
logPoct/wat	2.130		Crippen Calculated Property
McVol	131.020	ml/mol	McGowan Calculated Property
Pc	2548.19	kPa	Joback Calculated Property
I	[1226.00; 1226.00]
I	1226.00		NIST
I	1226.00		NIST
Tboil	342.20	K	Relay (1.0) Calculated Property
Tc	979.77	K	Relay (1.0) Calculated Property
Tfus	271.05	K	Relay (1.0) Calculated Property
Vc	0.806	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[274.34; 342.68]	J/mol×K	[440.86; 612.60]
Cp,gas	274.34	J/mol×K	440.86	Joback Calculated Property
Cp,gas	286.86	J/mol×K	469.48	Joback Calculated Property
Cp,gas	298.93	J/mol×K	498.11	Joback Calculated Property
Cp,gas	310.54	J/mol×K	526.73	Joback Calculated Property
Cp,gas	321.69	J/mol×K	555.36	Joback Calculated Property
Cp,gas	332.41	J/mol×K	583.98	Joback Calculated Property
Cp,gas	342.68	J/mol×K	612.60	Joback Calculated Property
η	[0.0002589; 0.0066303]	Pa×s	[222.25; 440.86]
η	0.0066303	Pa×s	222.25	Joback Calculated Property
η	0.0026394	Pa×s	258.69	Joback Calculated Property
η	0.0013190	Pa×s	295.12	Joback Calculated Property
η	0.0007677	Pa×s	331.55	Joback Calculated Property
η	0.0004974	Pa×s	367.99	Joback Calculated Property
η	0.0003485	Pa×s	404.42	Joback Calculated Property
η	0.0002589	Pa×s	440.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to ethyl hexanoate-d11.

Sources

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

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