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°	-179.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-663.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.54	kJ/mol	Joback Calculated Property
ΔvapH°	115.67	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	1464.61	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	790.39	K	Relay (1.0) Calculated Property
Tfus	304.37	K	Relay (1.0) Calculated Property
Vc	0.899	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[344.52; 824.98]	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			-2.12380e+01
Coefficient B			1.59462e+00
Coefficient C			-1.00300e-03
Coefficient D			2.54600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	344.52	J/mol×K	273.00	Calculated Property
Cp,gas	428.64	J/mol×K	353.78	Calculated Property
Cp,gas	503.20	J/mol×K	434.56	Calculated Property
Cp,gas	569.00	J/mol×K	515.33	Calculated Property
Cp,gas	626.85	J/mol×K	596.11	Calculated Property
Cp,gas	677.55	J/mol×K	676.89	Calculated Property
Cp,gas	721.91	J/mol×K	757.67	Calculated Property
Cp,gas	760.73	J/mol×K	838.44	Calculated Property
Cp,gas	794.82	J/mol×K	919.22	Calculated Property
Cp,gas	824.98	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011006; 0.0001587]	Pa×s	[425.60; 627.41]	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			-1.28320e+01
Coefficient B			2.56218e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			425.60
Temperature range, max.			627.41
η	0.0011006	Pa×s	425.60	Calculated Property
η	0.0008143	Pa×s	448.02	Calculated Property
η	0.0006200	Pa×s	470.45	Calculated Property
η	0.0004839	Pa×s	492.87	Calculated Property
η	0.0003860	Pa×s	515.29	Calculated Property
η	0.0003137	Pa×s	537.71	Calculated Property
η	0.0002592	Pa×s	560.14	Calculated Property
η	0.0002174	Pa×s	582.56	Calculated Property
η	0.0001847	Pa×s	604.98	Calculated Property
η	0.0001587	Pa×s	627.41	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[486.92; 687.16]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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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