Chemical Properties of 2-Nonenoic acid, methyl ester (CAS 111-79-5)

InChI

InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h8-9H,3-7H2,1-2H3/b9-8+

InChI Key

ZWNPUELCBZVMDA-CMDGGOBGSA-N

Formula

C10H18O2

SMILES

CCCCCCC=CC(=O)OC

Molecular Weight¹

170.25

CAS

111-79-5

Other Names

• Methyl 2-nonenoate
• Methyl nonylenate
• Neofolione
• methyl non-2-enoate

• 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).
• P_vap : Vapor pressure (kPa).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[344.97; 420.76]	J/mol×K	[490.78; 667.67]
Cp,gas	344.97	J/mol×K	490.78	Joback Calculated Property
Cp,gas	359.10	J/mol×K	520.26	Joback Calculated Property
Cp,gas	372.61	J/mol×K	549.74	Joback Calculated Property
Cp,gas	385.51	J/mol×K	579.22	Joback Calculated Property
Cp,gas	397.83	J/mol×K	608.70	Joback Calculated Property
Cp,gas	409.57	J/mol×K	638.19	Joback Calculated Property
Cp,gas	420.76	J/mol×K	667.67	Joback Calculated Property
η	[0.0001750; 0.0055282]	Pa×s	[239.71; 490.78]
η	0.0055282	Pa×s	239.71	Joback Calculated Property
η	0.0020273	Pa×s	281.56	Joback Calculated Property
η	0.0009638	Pa×s	323.40	Joback Calculated Property
η	0.0005433	Pa×s	365.25	Joback Calculated Property
η	0.0003446	Pa×s	407.09	Joback Calculated Property
η	0.0002379	Pa×s	448.93	Joback Calculated Property
η	0.0001750	Pa×s	490.78	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[368.99; 510.11]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.57305e+01
Coefficient B			-4.51965e+03
Coefficient C			-7.63250e+01
Temperature range, min.			368.99
Temperature range, max.			510.11
Pvap	1.33	kPa	368.99	Calculated Property
Pvap	2.92	kPa	384.67	Calculated Property
Pvap	5.94	kPa	400.35	Calculated Property
Pvap	11.31	kPa	416.03	Calculated Property
Pvap	20.35	kPa	431.71	Calculated Property
Pvap	34.82	kPa	447.39	Calculated Property
Pvap	57.06	kPa	463.07	Calculated Property
Pvap	89.97	kPa	478.75	Calculated Property
Pvap	137.09	kPa	494.43	Calculated Property
Pvap	202.64	kPa	510.11	Calculated Property

Similar Compounds

Find more compounds similar to 2-Nonenoic acid, methyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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