Chemical Properties of 6-octadecenoic acid (CAS 4712-34-9)

InChI

InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12-

InChI Key

CNVZJPUDSLNTQU-SEYXRHQNSA-N

Formula

C18H34O2

SMILES

CCCCCCCCCCCC=CCCCCC(=O)O

Molecular Weight¹

282.46

CAS

4712-34-9

Other Names

• Petroselenic acid

• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-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°	-84.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-562.44	kJ/mol	Joback Calculated Property
ΔfusH°	48.26	kJ/mol	Joback Calculated Property
ΔvapH°	79.05	kJ/mol	Joback Calculated Property
log10WS	-6.31		Crippen Calculated Property
logPoct/wat	6.109		Crippen Calculated Property
McVol	267.620	ml/mol	McGowan Calculated Property
Pc	1332.96	kPa	Joback Calculated Property
Inp	[2073.00; 2073.00]
Inp	2073.00		NIST
Inp	2073.00		NIST
Tboil	761.45	K	Joback Calculated Property
Tc	937.21	K	Joback Calculated Property
Tfus	398.29	K	Joback Calculated Property
Vc	1.048	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[811.35; 899.26]	J/mol×K	[761.45; 937.21]
Cp,gas	811.35	J/mol×K	761.45	Joback Calculated Property
Cp,gas	827.83	J/mol×K	790.74	Joback Calculated Property
Cp,gas	843.52	J/mol×K	820.04	Joback Calculated Property
Cp,gas	858.48	J/mol×K	849.33	Joback Calculated Property
Cp,gas	872.72	J/mol×K	878.62	Joback Calculated Property
Cp,gas	886.31	J/mol×K	907.92	Joback Calculated Property
Cp,gas	899.26	J/mol×K	937.21	Joback Calculated Property
η	[0.0000210; 0.0023727]	Pa×s	[398.29; 761.45]
η	0.0023727	Pa×s	398.29	Joback Calculated Property
η	0.0006419	Pa×s	458.82	Joback Calculated Property
η	0.0002355	Pa×s	519.34	Joback Calculated Property
η	0.0001065	Pa×s	579.87	Joback Calculated Property
η	0.0000560	Pa×s	640.40	Joback Calculated Property
η	0.0000329	Pa×s	700.92	Joback Calculated Property
η	0.0000210	Pa×s	761.45	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.36; 203.46]	kPa	[514.15; 709.15]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52924e+01
Coefficient B			-5.81882e+03
Coefficient C			-1.25923e+02
Temperature range, min.			514.15
Temperature range, max.			709.15
Pvap	1.36	kPa	514.15	Calculated Property
Pvap	2.99	kPa	535.82	Calculated Property
Pvap	6.11	kPa	557.48	Calculated Property
Pvap	11.63	kPa	579.15	Calculated Property
Pvap	20.90	kPa	600.82	Calculated Property
Pvap	35.66	kPa	622.48	Calculated Property
Pvap	58.21	kPa	644.15	Calculated Property
Pvap	91.35	kPa	665.82	Calculated Property
Pvap	138.45	kPa	687.48	Calculated Property
Pvap	203.46	kPa	709.15	Calculated Property

Similar Compounds

Find more compounds similar to 6-octadecenoic acid.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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