Chemical Properties of 10-Undecenoic acid, methyl ester (CAS 111-81-9)

InChI

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

InChI Key

KISVAASFGZJBCY-UHFFFAOYSA-N

Formula

C12H22O2

SMILES

C=CCCCCCCCCC(=O)OC

Molecular Weight¹

198.30

CAS

111-81-9

Other Names

• 10-hendecenoic acid, methyl ester
• Methyl 10-undecenate
• Methyl ester of 10-undecenoic acid
• Methyl undec-10-enylate
• Methyl undecenate
• Methyl undecenoate
• NSC 1273
• Undecenoic acid, methyl ester
• Undecylenic acid, methyl ester
• methyl 10-undecenoate
• methyl undec-10-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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.6368		Relay (1.0) Calculated Property
ΔfG°	-172.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-486.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.93	kJ/mol	Joback Calculated Property
ΔvapH°	73.89	kJ/mol	Relay (1.0) Calculated Property
IE	9.44	eV	Relay (1.0) Calculated Property
log10WS	-3.97		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	[1395.00; 1429.00]
Inp	1429.00		NIST
Inp	1417.30		NIST
Inp	1397.00		NIST
Inp	1427.00		NIST
Inp	1395.00		NIST
Inp	1429.00		NIST
Inp	1396.00		NIST
Inp	1427.00		NIST
I	[1718.00; 1733.00]
I	1718.00		NIST
I	1733.00		NIST
I	1718.00		NIST
Tboil	521.20	K	NIST
Tc	700.07	K	Relay (1.0) Calculated Property
Tfus	252.33	K	Relay (1.0) Calculated Property
Vc	0.685	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[437.59; 520.75]	J/mol×K	[529.06; 699.05]
Cp,gas	437.59	J/mol×K	529.06	Joback Calculated Property
Cp,gas	453.03	J/mol×K	557.39	Joback Calculated Property
Cp,gas	467.82	J/mol×K	585.72	Joback Calculated Property
Cp,gas	481.98	J/mol×K	614.05	Joback Calculated Property
Cp,gas	495.51	J/mol×K	642.38	Joback Calculated Property
Cp,gas	508.43	J/mol×K	670.72	Joback Calculated Property
Cp,gas	520.75	J/mol×K	699.05	Joback Calculated Property
η	[0.0001779; 0.0048712]	Pa×s	[265.57; 529.06]
η	0.0048712	Pa×s	265.57	Joback Calculated Property
η	0.0018971	Pa×s	309.49	Joback Calculated Property
η	0.0009340	Pa×s	353.40	Joback Calculated Property
η	0.0005378	Pa×s	397.31	Joback Calculated Property
η	0.0003456	Pa×s	441.23	Joback Calculated Property
η	0.0002406	Pa×s	485.14	Joback Calculated Property
η	0.0001779	Pa×s	529.06	Joback Calculated Property
ΔvapH	59.20	kJ/mol	460.50	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	397.20	K	1.30	NIST

Datasets

Mass density, kg/m3

Fixed		Measured
Pressure, kPa - Liquid	Temperature, K - Liquid	Mass density, kg/m3 - Liquid
100.00	280.15	897.46
100.00	293.15	886.83
100.00	303.15	878.63
100.00	313.15	870.71
100.00	323.15	862.33
100.00	333.15	854.49
100.00	343.15	845.8
100.00	352.15	838.42
40000.00	280.15	914.37
40000.00	293.15	906.75
40000.00	303.15	895.63
40000.00	313.15	888.48
40000.00	323.15	881.75
40000.00	333.15	874.61
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[397.62; 550.70]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.55377e+01
Coefficient B			-4.75178e+03
Coefficient C			-8.60300e+01
Temperature range, min.			397.62
Temperature range, max.			550.70
Pvap	1.33	kPa	397.62	Calculated Property
Pvap	2.94	kPa	414.63	Calculated Property
Pvap	5.98	kPa	431.64	Calculated Property
Pvap	11.40	kPa	448.65	Calculated Property
Pvap	20.50	kPa	465.66	Calculated Property
Pvap	35.07	kPa	482.66	Calculated Property
Pvap	57.40	kPa	499.67	Calculated Property
Pvap	90.36	kPa	516.68	Calculated Property
Pvap	137.42	kPa	533.69	Calculated Property
Pvap	202.66	kPa	550.70	Calculated Property

Similar Compounds

Find more compounds similar to 10-Undecenoic acid, methyl ester.

Mixtures

• Methyl Alcohol + 10-Undecenoic acid, methyl ester
• Dodecane + 10-Undecenoic acid, methyl ester
• Dodecanedioic acid, dimethyl ester + 10-Undecenoic acid, methyl ester
• Carbon monoxide + 10-Undecenoic acid, methyl ester

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Phase Equilibria for the Hydroesterification of 10-Undecenoic Acid Methyl Ester
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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