Chemical Properties of Tetracosanoic acid (CAS 557-59-5)

InChI

InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)

InChI Key

QZZGJDVWLFXDLK-UHFFFAOYSA-N

Formula

C24H48O2

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)O

Molecular Weight¹

368.64

CAS

557-59-5

Other Names

• lignoceric acid

• 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).
• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	1.3203		Relay (1.0) Calculated Property
ΔfG°	-192.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-898.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	68.06	kJ/mol	Joback Calculated Property
ΔvapH°	152.25	kJ/mol	Relay (1.0) Calculated Property
IE	10.23	eV	Relay (1.0) Calculated Property
log10WS	-8.17		Relay (1.0) Calculated Property
logPoct/wat	8.673		Crippen Calculated Property
McVol	356.460	ml/mol	McGowan Calculated Property
Pc	848.50	kPa	Joback Calculated Property
Inp	[2685.00; 2760.00]
Inp	2685.00		NIST
Inp	2760.00		NIST
Inp	2685.00		NIST
Inp	2760.00		NIST
Tboil	640.41	K	Relay (1.0) Calculated Property
Tc	846.09	K	Relay (1.0) Calculated Property
Tfus	[357.35; 358.45]	K
Tfus	357.35	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	358.45 ± 2.00	K	NIST
Vc	1.406	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[528.23; 1268.29]	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			-1.43280e+01
Coefficient B			2.33462e+00
Coefficient C			-1.35440e-03
Coefficient D			3.02400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	528.23	J/mol×K	273.00	Calculated Property
Cp,gas	655.48	J/mol×K	353.78	Calculated Property
Cp,gas	769.25	J/mol×K	434.56	Calculated Property
Cp,gas	870.48	J/mol×K	515.33	Calculated Property
Cp,gas	960.14	J/mol×K	596.11	Calculated Property
Cp,gas	1039.18	J/mol×K	676.89	Calculated Property
Cp,gas	1108.56	J/mol×K	757.67	Calculated Property
Cp,gas	1169.23	J/mol×K	838.44	Calculated Property
Cp,gas	1222.16	J/mol×K	919.22	Calculated Property
Cp,gas	1268.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0096855; 0.0000668]	Pa×s	[357.90; 767.01]	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			-1.39672e+01
Coefficient B			3.33922e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			357.90
Temperature range, max.			767.01
η	0.0096855	Pa×s	357.90	Calculated Property
η	0.0033844	Pa×s	403.36	Calculated Property
η	0.0014633	Pa×s	448.81	Calculated Property
η	0.0007382	Pa×s	494.27	Calculated Property
η	0.0004179	Pa×s	539.73	Calculated Property
η	0.0002584	Pa×s	585.18	Calculated Property
η	0.0001713	Pa×s	630.64	Calculated Property
η	0.0001200	Pa×s	676.10	Calculated Property
η	0.0000879	Pa×s	721.55	Calculated Property
η	0.0000668	Pa×s	767.01	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[590.12; 728.41]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.12110e+01
Coefficient B			-9.15711e+03
Coefficient C			-1.52472e+02
Temperature range, min.			590.12
Temperature range, max.			728.41
Pvap	1.33	kPa	590.12	Calculated Property
Pvap	2.71	kPa	605.49	Calculated Property
Pvap	5.26	kPa	620.85	Calculated Property
Pvap	9.79	kPa	636.22	Calculated Property
Pvap	17.53	kPa	651.58	Calculated Property
Pvap	30.33	kPa	666.95	Calculated Property
Pvap	50.82	kPa	682.31	Calculated Property
Pvap	82.71	kPa	697.68	Calculated Property
Pvap	131.07	kPa	713.04	Calculated Property
Pvap	202.67	kPa	728.41	Calculated Property

Similar Compounds

Find more compounds similar to Tetracosanoic acid.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vaporization, Sublimation and Fusion Enthalpies of Some Saturated and Unsaturated Long Chain Fatty Acids by Correlation Gas Chromatography
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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