Chemical Properties of 9-Hexadecenoic acid (CAS 2091-29-4)

InChI

InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+

InChI Key

SECPZKHBENQXJG-BQYQJAHWSA-N

Formula

C16H30O2

SMILES

CCCCCCC=CCCCCCCCC(=O)O

Molecular Weight¹

254.41

CAS

2091-29-4

• 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).
• I_np : Non-polar retention indices.
• I : 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
ω	0.9594		Relay (1.0) Calculated Property
ΔfG°	-101.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-663.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.09	kJ/mol	Joback Calculated Property
ΔvapH°	115.95	kJ/mol	Relay (1.0) Calculated Property
IE	9.12	eV	Relay (1.0) Calculated Property
log10WS	-5.11		Relay (1.0) Calculated Property
logPoct/wat	5.328		Crippen Calculated Property
McVol	239.440	ml/mol	McGowan Calculated Property
Pc	1541.49	kPa	Joback Calculated Property
Inp	[1898.00; 1957.00]
Inp	1898.00		NIST
Inp	1916.29		NIST
Inp	1942.00		NIST
Inp	1948.00		NIST
Inp	1938.00		NIST
Inp	1911.00		NIST
Inp	1942.00		NIST
Inp	1949.00		NIST
Inp	1949.00		NIST
Inp	1957.00		NIST
Inp	1898.00		NIST
Inp	1942.00		NIST
I	[2950.00; 2957.00]
I	2950.00		NIST
I	2957.00		NIST
I	2950.00		NIST
Tboil	592.42	K	Relay (1.0) Calculated Property
Tc	784.26	K	Relay (1.0) Calculated Property
Tfus	308.82	K	Relay (1.0) Calculated Property
Vc	0.889	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[696.79; 779.32]	J/mol×K	[715.69; 887.89]
Cp,gas	696.79	J/mol×K	715.69	Joback Calculated Property
Cp,gas	712.23	J/mol×K	744.39	Joback Calculated Property
Cp,gas	726.95	J/mol×K	773.09	Joback Calculated Property
Cp,gas	740.99	J/mol×K	801.79	Joback Calculated Property
Cp,gas	754.38	J/mol×K	830.49	Joback Calculated Property
Cp,gas	767.14	J/mol×K	859.19	Joback Calculated Property
Cp,gas	779.32	J/mol×K	887.89	Joback Calculated Property
η	[0.0000302; 0.0034930]	Pa×s	[375.75; 715.69]
η	0.0034930	Pa×s	375.75	Joback Calculated Property
η	0.0009417	Pa×s	432.41	Joback Calculated Property
η	0.0003440	Pa×s	489.06	Joback Calculated Property
η	0.0001549	Pa×s	545.72	Joback Calculated Property
η	0.0000810	Pa×s	602.38	Joback Calculated Property
η	0.0000474	Pa×s	659.03	Joback Calculated Property
η	0.0000302	Pa×s	715.69	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[486.92; 687.16]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46024e+01
Coefficient B			-5.30092e+03
Coefficient C			-1.16610e+02
Temperature range, min.			486.92
Temperature range, max.			687.16
Pvap	1.33	kPa	486.92	Calculated Property
Pvap	3.00	kPa	509.17	Calculated Property
Pvap	6.19	kPa	531.42	Calculated Property
Pvap	11.87	kPa	553.67	Calculated Property
Pvap	21.35	kPa	575.92	Calculated Property
Pvap	36.40	kPa	598.16	Calculated Property
Pvap	59.18	kPa	620.41	Calculated Property
Pvap	92.35	kPa	642.66	Calculated Property
Pvap	139.01	kPa	664.91	Calculated Property
Pvap	202.66	kPa	687.16	Calculated Property

Similar Compounds

Find more compounds similar to 9-Hexadecenoic 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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