Chemical Properties of Ethyl 9-decenoate (CAS 67233-91-4)

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

198.30

CAS

67233-91-4

Other Names

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

• 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).
• 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 : 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
ΔfG°	-95.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-410.38	kJ/mol	Joback Calculated Property
ΔfusH°	28.34	kJ/mol	Joback Calculated Property
ΔvapH°	50.79	kJ/mol	Joback Calculated Property
log10WS	-3.56		Crippen Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	183.080	ml/mol	McGowan Calculated Property
Pc	1920.30	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
I	[1664.00; 1712.00]
I	1694.00		NIST
I	1703.00		NIST
I	1707.00		NIST
I	1701.00		NIST
I	1664.00		NIST
I	1689.00		NIST
I	1685.00		NIST
I	1694.00		NIST
I	1688.00		NIST
I	1666.00		NIST
I	1675.00		NIST
I	1708.00		NIST
I	1673.00		NIST
I	1675.00		NIST
I	1673.00		NIST
I	1675.00		NIST
I	1694.00		NIST
I	1692.00		NIST
I	1697.00		NIST
I	1709.00		NIST
I	1708.00		NIST
I	1711.00		NIST
I	1709.00		NIST
I	1709.00		NIST
I	1685.00		NIST
I	1712.00		NIST
I	1711.00		NIST
I	1691.00		NIST
I	1712.00		NIST
I	1682.00		NIST
I	1688.00		NIST
I	1675.00		NIST
I	1694.00		NIST
I	1685.00		NIST
Tboil	546.93	K	Joback Calculated Property
Tc	719.58	K	Joback Calculated Property
Tfus	295.40	K	Joback Calculated Property
Vc	0.713	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[444.34; 526.24]	J/mol×K	[546.93; 719.58]
Cp,gas	444.34	J/mol×K	546.93	Joback Calculated Property
Cp,gas	459.51	J/mol×K	575.71	Joback Calculated Property
Cp,gas	474.05	J/mol×K	604.48	Joback Calculated Property
Cp,gas	487.98	J/mol×K	633.26	Joback Calculated Property
Cp,gas	501.31	J/mol×K	662.03	Joback Calculated Property
Cp,gas	514.06	J/mol×K	690.81	Joback Calculated Property
Cp,gas	526.24	J/mol×K	719.58	Joback Calculated Property
η	[0.0001931; 0.0029144]	Pa×s	[295.40; 546.93]
η	0.0029144	Pa×s	295.40	Joback Calculated Property
η	0.0013996	Pa×s	337.32	Joback Calculated Property
η	0.0007904	Pa×s	379.24	Joback Calculated Property
η	0.0005002	Pa×s	421.17	Joback Calculated Property
η	0.0003439	Pa×s	463.09	Joback Calculated Property
η	0.0002516	Pa×s	505.01	Joback Calculated Property
η	0.0001931	Pa×s	546.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 9-decenoate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.