Chemical Properties of 9-Octadecenoic acid (CAS 2027-47-6)

InChI

InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+

InChI Key

ZQPPMHVWECSIRJ-MDZDMXLPSA-N

Formula

C18H34O2

SMILES

CCCCCCCCC=CCCCCCCCC(=O)O

Molecular Weight¹

282.46

CAS

2027-47-6

Other Names

• (E)-9-octadecenoic acid
• 9-octadecenoic acid, (E)-
• Oleic acid
• elaidic acid
• trans-9-octadecenoic acid
• trans-«delta»

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• I_np : Non-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	1.0298		Relay (1.0) Calculated Property
ΔcH°liquid	[-11128.00; -11127.10]	kJ/mol
ΔcH°liquid	-11127.10	kJ/mol	NIST
ΔcH°liquid	-11128.00	kJ/mol	NIST
ΔcH°solid	-11040.40	kJ/mol	NIST
ΔfG°	-163.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-706.03	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-769.00	kJ/mol	NIST
ΔfusH°	52.72	kJ/mol	Joback Calculated Property
ΔvapH°	124.37	kJ/mol	Relay (1.0) Calculated Property
IE	9.17	eV	Relay (1.0) Calculated Property
log10WS	-5.79		Relay (1.0) Calculated Property
logPoct/wat	6.109		Crippen Calculated Property
McVol	267.620	ml/mol	McGowan Calculated Property
Pc	1270.97	kPa	Joback Calculated Property
Inp	[2123.00; 2143.90]
Inp	2141.00		NIST
Inp	2143.90		NIST
Inp	2123.00		NIST
Tboil	606.18	K	Relay (1.0) Calculated Property
Tc	807.69	K	Relay (1.0) Calculated Property
Tfus	[316.95; 320.00]	K
Tfus	316.95 ± 0.50	K	NIST
Tfus	317.15 ± 1.00	K	NIST
Tfus	320.00 ± 1.00	K	NIST
Vc	1.010	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[27.03; 61.55]	kJ/mol	[317.60; 371.20]
ΔfusH	61.55	kJ/mol	317.60	NIST
ΔfusH	27.03	kJ/mol	371.20	NIST
ΔvapH	[82.30; 133.00]	kJ/mol	[298.00; 539.50]
ΔvapH	133.00	kJ/mol	298.00	Vapor Pressures and Vaporization, Sublimation, and Fusion Enthalpies of Some Fatty Acids
ΔvapH	82.30	kJ/mol	539.50	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[507.20; 561.20]	K	[2.00; 13.30]
Tboilr	507.20	K	2.00	NIST
Tboilr	561.20	K	13.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[386.95; 928.16]	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			-2.30560e+01
Coefficient B			1.78462e+00
Coefficient C			-1.11180e-03
Coefficient D			2.78400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	386.95	J/mol×K	273.00	Calculated Property
Cp,gas	481.48	J/mol×K	353.78	Calculated Property
Cp,gas	565.36	J/mol×K	434.56	Calculated Property
Cp,gas	639.46	J/mol×K	515.33	Calculated Property
Cp,gas	704.67	J/mol×K	596.11	Calculated Property
Cp,gas	761.87	J/mol×K	676.89	Calculated Property
Cp,gas	811.94	J/mol×K	757.67	Calculated Property
Cp,gas	855.76	J/mol×K	838.44	Calculated Property
Cp,gas	894.21	J/mol×K	919.22	Calculated Property
Cp,gas	928.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0113678; 0.0001286]	Pa×s	[318.03; 660.17]	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			-1.31254e+01
Coefficient B			2.75050e+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.			318.03
Temperature range, max.			660.17
η	0.0113678	Pa×s	318.03	Calculated Property
η	0.0045149	Pa×s	356.05	Calculated Property
η	0.0021429	Pa×s	394.06	Calculated Property
η	0.0011596	Pa×s	432.08	Calculated Property
η	0.0006930	Pa×s	470.10	Calculated Property
η	0.0004473	Pa×s	508.11	Calculated Property
η	0.0003069	Pa×s	546.13	Calculated Property
η	0.0002211	Pa×s	584.14	Calculated Property
η	0.0001658	Pa×s	622.16	Calculated Property
η	0.0001286	Pa×s	660.17	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 100.91]	kPa	[444.50; 635.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.06467e+01
Coefficient B			-1.04353e+04
Coefficient C			1.58860e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			444.50
Temperature range, max.			635.00
Pvap	0.13	kPa	444.50	Calculated Property
Pvap	0.36	kPa	465.67	Calculated Property
Pvap	0.89	kPa	486.83	Calculated Property
Pvap	2.07	kPa	508.00	Calculated Property
Pvap	4.49	kPa	529.17	Calculated Property
Pvap	9.18	kPa	550.33	Calculated Property
Pvap	17.83	kPa	571.50	Calculated Property
Pvap	33.08	kPa	592.67	Calculated Property
Pvap	58.87	kPa	613.83	Calculated Property
Pvap	100.91	kPa	635.00	Calculated Property

Similar Compounds

Find more compounds similar to 9-Octadecenoic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapor Pressures and Vaporization, Sublimation, and Fusion Enthalpies of Some Fatty Acids
• Joback Method
• McGowan Method
• NIST Webbook

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