Chemical Properties of Ethyl 2-octynoate

InChI

InChI=1S/C10H16O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-7H2,1-2H3

InChI Key

QPMDWYXUSMRVKT-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

CCCCCC#CC(=O)OCC

Molecular Weight¹

168.24

Other Names

• Ethyl 2-octynate
• Ethyl heptyne carboxylate
• 2-Octynoic acid, ethyl ester
• ethyl oct-2-ynoate

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• 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
ΔcH°liquid	-5837.90	kJ/mol	NIST
ΔfH°gas	-293.52	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	[-383.80; 435.60]	kJ/mol
ΔfH°liquid	-383.80 ± 5.00	kJ/mol	NIST
ΔfH°liquid	435.60	kJ/mol	NIST
ΔfusH°	29.15	kJ/mol	Joback Calculated Property
ΔvapH°	63.99	kJ/mol	Relay (1.0) Calculated Property
IE	9.76	eV	Relay (1.0) Calculated Property
log10WS	-2.99		Relay (1.0) Calculated Property
logPoct/wat	2.133		Crippen Calculated Property
McVol	150.600	ml/mol	McGowan Calculated Property
Pc	2467.81	kPa	Joback Calculated Property
Tboil	485.93	K	Relay (1.0) Calculated Property
Tc	647.86	K	Relay (1.0) Calculated Property
Tfus	226.93	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[217.06; 482.22]	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			3.67650e+01
Coefficient B			7.49240e-01
Coefficient C			-3.33460e-04
Coefficient D			2.96800e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	217.06	J/mol×K	273.00	Calculated Property
Cp,gas	261.41	J/mol×K	353.78	Calculated Property
Cp,gas	301.82	J/mol×K	434.56	Calculated Property
Cp,gas	338.38	J/mol×K	515.33	Calculated Property
Cp,gas	371.19	J/mol×K	596.11	Calculated Property
Cp,gas	400.34	J/mol×K	676.89	Calculated Property
Cp,gas	425.92	J/mol×K	757.67	Calculated Property
Cp,gas	448.04	J/mol×K	838.44	Calculated Property
Cp,gas	466.77	J/mol×K	919.22	Calculated Property
Cp,gas	482.23	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 2-octynoate.

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.
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