Chemical Properties of (E)-13-Docosenoic acid (CAS 506-33-2)

InChI

InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9+

InChI Key

DPUOLQHDNGRHBS-MDZDMXLPSA-N

Formula

C22H42O2

SMILES

CCCCCCCCC=CCCCCCCCCCCCC(=O)O

Molecular Weight¹

338.57

CAS

506-33-2

Other Names

• (E)-docos-13-enoic acid
• 13-Docosenoic acid, (E)-
• Brassidic acid
• trans-13-Docosenoic acid

• ω : Acentric Factor.
• 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_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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1054.55; 1155.41]	J/mol×K	[852.63; 1044.55]
Cp,gas	1054.55	J/mol×K	852.63	Joback Calculated Property
Cp,gas	1073.52	J/mol×K	884.62	Joback Calculated Property
Cp,gas	1091.55	J/mol×K	916.60	Joback Calculated Property
Cp,gas	1108.68	J/mol×K	948.59	Joback Calculated Property
Cp,gas	1125.00	J/mol×K	980.58	Joback Calculated Property
Cp,gas	1140.55	J/mol×K	1012.57	Joback Calculated Property
Cp,gas	1155.41	J/mol×K	1044.55	Joback Calculated Property
η	[0.0000422; 0.0006113]	Pa×s	[493.22; 852.63]
η	0.0006113	Pa×s	493.22	Joback Calculated Property
η	0.0003076	Pa×s	553.12	Joback Calculated Property
η	0.0001771	Pa×s	613.02	Joback Calculated Property
η	0.0001124	Pa×s	672.92	Joback Calculated Property
η	0.0000769	Pa×s	732.83	Joback Calculated Property
η	0.0000557	Pa×s	792.73	Joback Calculated Property
η	0.0000422	Pa×s	852.63	Joback Calculated Property
ΔvapH	103.40	kJ/mol	569.00	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[529.20; 555.20]	K	[1.30; 4.00]
Tboilr	529.20	K	1.30	NIST
Tboilr	555.20	K	4.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[562.12; 748.59]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.66104e+01
Coefficient B			-6.84544e+03
Coefficient C			-1.42742e+02
Temperature range, min.			562.12
Temperature range, max.			748.59
Pvap	1.33	kPa	562.12	Calculated Property
Pvap	2.87	kPa	582.84	Calculated Property
Pvap	5.79	kPa	603.56	Calculated Property
Pvap	10.96	kPa	624.28	Calculated Property
Pvap	19.71	kPa	645.00	Calculated Property
Pvap	33.82	kPa	665.71	Calculated Property
Pvap	55.69	kPa	686.43	Calculated Property
Pvap	88.41	kPa	707.15	Calculated Property
Pvap	135.83	kPa	727.87	Calculated Property
Pvap	202.65	kPa	748.59	Calculated Property

Similar Compounds

Find more compounds similar to (E)-13-Docosenoic acid.

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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