Chemical Properties of ETHYL 9-DECENOATE

InChI

InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3H,1,4-11H2,2H3

InChI Key

BKOJTZORTHALGP-UHFFFAOYSA-N

Formula

C12H22O2

SMILES

C=CCCCCCCCC(=O)OCC

Molecular Weight¹

198.31

Other Names

• Ethyl dec-9-enoate
• 9-Decenoic acid, ethyl ester

• 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_np : Non-polar retention indices.
• I_p : 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	0.6320		Relay (1.0) Calculated Property
ΔfG°	-172.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-506.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.93	kJ/mol	Joback Calculated Property
ΔvapH°	68.11	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-3.79		Relay (1.0) Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	183.080	ml/mol	McGowan Calculated Property
Pc	1853.11	kPa	Joback Calculated Property
Inp	[1360.00; 1390.00]
Inp	1386.00		NIST
Inp	1389.00		NIST
Inp	1387.80		NIST
Inp	1389.00		NIST
Inp	1390.00		NIST
Inp	1384.00		NIST
Inp	1387.00		NIST
Inp	Outlier 1360.00		NIST
Inp	1370.00		NIST
Inp	1389.00		NIST
Inp	1387.00		NIST
Inp	1389.00		NIST
Inp	1389.00		NIST
Ip	[1664.00; 1712.00]
Ip	1694.00		NIST
Ip	1703.00		NIST
Ip	1707.00		NIST
Ip	1701.00		NIST
Ip	1664.00		NIST
Ip	1689.00		NIST
Ip	1685.00		NIST
Ip	1694.00		NIST
Ip	1688.00		NIST
Ip	1666.00		NIST
Ip	1675.00		NIST
Ip	1708.00		NIST
Ip	1673.00		NIST
Ip	1675.00		NIST
Ip	1673.00		NIST
Ip	1675.00		NIST
Ip	1694.00		NIST
Ip	1692.00		NIST
Ip	1697.00		NIST
Ip	1709.00		NIST
Ip	1708.00		NIST
Ip	1711.00		NIST
Ip	1709.00		NIST
Ip	1709.00		NIST
Ip	1685.00		NIST
Ip	1712.00		NIST
Ip	1711.00		NIST
Ip	1691.00		NIST
Ip	1712.00		NIST
Ip	1682.00		NIST
Ip	1694.00		NIST
Ip	1685.00		NIST
Ip	1688.00		NIST
Ip	1675.00		NIST
Tboil	507.29	K	Relay (1.0) Calculated Property
Tc	694.05	K	Relay (1.0) Calculated Property
Tfus	246.47	K	Relay (1.0) Calculated Property
Vc	0.687	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[266.58; 618.02]	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			1.43980e+01
Coefficient B			1.06902e+00
Coefficient C			-5.57300e-04
Coefficient D			9.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	266.58	J/mol×K	273.00	Calculated Property
Cp,gas	326.91	J/mol×K	353.78	Calculated Property
Cp,gas	381.25	J/mol×K	434.56	Calculated Property
Cp,gas	429.88	J/mol×K	515.33	Calculated Property
Cp,gas	473.08	J/mol×K	596.11	Calculated Property
Cp,gas	511.16	J/mol×K	676.89	Calculated Property
Cp,gas	544.41	J/mol×K	757.67	Calculated Property
Cp,gas	573.10	J/mol×K	838.44	Calculated Property
Cp,gas	597.54	J/mol×K	919.22	Calculated Property
Cp,gas	618.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048712; 0.0002332]	Pa×s	[265.57; 489.33]	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			-1.19702e+01
Coefficient B			1.76492e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			265.57
Temperature range, max.			489.33
η	0.0048712	Pa×s	265.57	Calculated Property
η	0.0027578	Pa×s	290.43	Calculated Property
η	0.0017079	Pa×s	315.30	Calculated Property
η	0.0011344	Pa×s	340.16	Calculated Property
η	0.0007967	Pa×s	365.02	Calculated Property
η	0.0005853	Pa×s	389.88	Calculated Property
η	0.0004462	Pa×s	414.75	Calculated Property
η	0.0003508	Pa×s	439.61	Calculated Property
η	0.0002829	Pa×s	464.47	Calculated Property
η	0.0002332	Pa×s	489.33	Calculated Property

Similar Compounds

Find more compounds similar to ETHYL 9-DECENOATE.

Sources

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

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