Chemical Properties of 2-Decenoic acid, methyl ester, (E)- (CAS 7367-85-3)

InChI

InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h9-10H,3-8H2,1-2H3/b10-9+

InChI Key

VVBWOSGRZNCEBX-MDZDMXLPSA-N

Formula

C11H20O2

SMILES

CCCCCCCC=CC(=O)OC

Molecular Weight¹

184.28

CAS

7367-85-3

Other Names

• Methyl (E)-dec-2-enoate
• methyl (E)-2-decenoate

• 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	0.5973		Relay (1.0) Calculated Property
ΔfG°	-188.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-484.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.82	kJ/mol	Joback Calculated Property
ΔvapH°	66.97	kJ/mol	Relay (1.0) Calculated Property
IE	9.64	eV	Relay (1.0) Calculated Property
log10WS	-4.20		Relay (1.0) Calculated Property
logPoct/wat	3.076		Crippen Calculated Property
McVol	168.990	ml/mol	McGowan Calculated Property
Pc	2034.55	kPa	Joback Calculated Property
Inp	[1299.00; 1299.00]
Inp	1299.00		NIST
Inp	1299.00		NIST
Ip	[1619.00; 1619.00]
Ip	1619.00		NIST
Ip	1619.00		NIST
Tboil	481.13	K	Relay (1.0) Calculated Property
Tc	684.89	K	Relay (1.0) Calculated Property
Tfus	245.89	K	Relay (1.0) Calculated Property
Vc	0.631	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[241.17; 564.36]	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			4.11600e+00
Coefficient B			1.01404e+00
Coefficient C			-5.63800e-04
Coefficient D			1.10000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	241.17	J/mol×K	273.00	Calculated Property
Cp,gas	297.17	J/mol×K	353.78	Calculated Property
Cp,gas	347.33	J/mol×K	434.56	Calculated Property
Cp,gas	392.01	J/mol×K	515.33	Calculated Property
Cp,gas	431.55	J/mol×K	596.11	Calculated Property
Cp,gas	466.30	J/mol×K	676.89	Calculated Property
Cp,gas	496.61	J/mol×K	757.67	Calculated Property
Cp,gas	522.82	J/mol×K	838.44	Calculated Property
Cp,gas	545.29	J/mol×K	919.22	Calculated Property
Cp,gas	564.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0052704; 0.0001999]	Pa×s	[250.98; 482.30]	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			-1.20675e+01
Coefficient B			1.71216e+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.			250.98
Temperature range, max.			482.30
η	0.0052704	Pa×s	250.98	Calculated Property
η	0.0027966	Pa×s	276.68	Calculated Property
η	0.0016527	Pa×s	302.38	Calculated Property
η	0.0010606	Pa×s	328.09	Calculated Property
η	0.0007259	Pa×s	353.79	Calculated Property
η	0.0005231	Pa×s	379.49	Calculated Property
η	0.0003929	Pa×s	405.19	Calculated Property
η	0.0003054	Pa×s	430.89	Calculated Property
η	0.0002442	Pa×s	456.60	Calculated Property
η	0.0001999	Pa×s	482.30	Calculated Property

Similar Compounds

Find more compounds similar to 2-Decenoic acid, methyl ester, (E)-.

Sources

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

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