Chemical Properties of 9-Octadecynoic acid (CAS 506-24-1)

InChI

InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-8,11-17H2,1H3,(H,19,20)

InChI Key

RGTIBVZDHOMOKC-UHFFFAOYSA-N

Formula

C18H32O2

SMILES

CCCCCCCCC#CCCCCCCCC(=O)O

Molecular Weight¹

280.45

CAS

506-24-1

Other Names

• Stearolic acid
• octadec-9-ynoic acid

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fusH : Enthalpy of fusion at a given temperature (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.
• 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	0.9963		Relay (1.0) Calculated Property
ΔfG°	-40.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-513.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.64	kJ/mol	Joback Calculated Property
ΔvapH°	120.86	kJ/mol	Relay (1.0) Calculated Property
IE	9.41	eV	Relay (1.0) Calculated Property
log10WS	-5.44		Relay (1.0) Calculated Property
logPoct/wat	5.556		Crippen Calculated Property
McVol	263.320	ml/mol	McGowan Calculated Property
Pc	1374.80	kPa	Joback Calculated Property
Inp	[2184.00; 2184.00]
Inp	2184.00		NIST
Inp	2184.00		NIST
Inp	2184.00		NIST
Tboil	600.52	K	Relay (1.0) Calculated Property
Tc	818.74	K	Relay (1.0) Calculated Property
Tfus	333.16	K	Relay (1.0) Calculated Property
Vc	0.986	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[790.86; 880.10]	J/mol×K	[765.95; 954.77]
Cp,gas	790.86	J/mol×K	765.95	Joback Calculated Property
Cp,gas	807.75	J/mol×K	797.42	Joback Calculated Property
Cp,gas	823.78	J/mol×K	828.89	Joback Calculated Property
Cp,gas	838.99	J/mol×K	860.36	Joback Calculated Property
Cp,gas	853.43	J/mol×K	891.83	Joback Calculated Property
Cp,gas	867.12	J/mol×K	923.30	Joback Calculated Property
Cp,gas	880.10	J/mol×K	954.77	Joback Calculated Property
ΔfusH	54.87	kJ/mol	319.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[547.14; 744.18]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.57549e+01
Coefficient B			-6.33546e+03
Coefficient C			-1.37536e+02
Temperature range, min.			547.14
Temperature range, max.			744.18
Pvap	1.33	kPa	547.14	Calculated Property
Pvap	2.92	kPa	569.03	Calculated Property
Pvap	5.94	kPa	590.93	Calculated Property
Pvap	11.30	kPa	612.82	Calculated Property
Pvap	20.33	kPa	634.71	Calculated Property
Pvap	34.80	kPa	656.61	Calculated Property
Pvap	57.02	kPa	678.50	Calculated Property
Pvap	89.93	kPa	700.39	Calculated Property
Pvap	137.06	kPa	722.29	Calculated Property
Pvap	202.64	kPa	744.18	Calculated Property

Similar Compounds

Find more compounds similar to 9-Octadecynoic 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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