Chemical Properties of Azelaic acid (CAS 123-99-9)

InChI

InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)

InChI Key

BDJRBEYXGGNYIS-UHFFFAOYSA-N

Formula

C9H16O4

SMILES

O=C(O)CCCCCCCC(=O)O

Molecular Weight¹

188.22

CAS

123-99-9

Other Names

• 1,7-Dicarboxyheptane
• 1,7-Heptanedicarboxylic acid
• 1,9-Nonanedioic acid
• Anchoic acid
• Azelaic acid, technical grade
• Azelainic acid
• Emerox 1110
• Emerox 1144
• Emery's L-110
• Finacea
• Heptanedicarboxylic acid
• Lepargylic acid
• NSC 19493
• Nonanedioic acid
• Skinoren
• ZK-62498
• n-Nonanedioic 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_fH°_solid : Solid phase 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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	0.9582		Relay (1.0) Calculated Property
ΔcH°solid	[-4775.60; -4773.90]	kJ/mol
ΔcH°solid	-4773.90 ± 1.90	kJ/mol	NIST
ΔcH°solid	-4775.60	kJ/mol	NIST
ΔcH°solid	-4773.90 ± 1.90	kJ/mol	NIST
ΔfG°	-506.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-905.36	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-1054.30 ± 0.90	kJ/mol	NIST
ΔfusH°	0.01	kJ/mol	Vaporization, fusion and sublimation enthalpies of the dicarboxylic acids from C4 to C14 and C16
ΔsubH°	159.90 ± 1.00	kJ/mol	NIST
ΔvapH°	119.70 ± 0.80	kJ/mol	NIST
IE	9.84	eV	Relay (1.0) Calculated Property
log10WS	-1.89		Aq. Solubility Prediction
logPoct/wat	1.886		Crippen Calculated Property
McVol	152.550	ml/mol	McGowan Calculated Property
Pc	2720.00	kPa	Critical Temperatures and Pressures of Straight-Chain Saturated Dicarboxylic Acids (C4 to C14)
Inp	1672.20		NIST
Tboil	552.67	K	Relay (1.0) Calculated Property
Tc	770.16	K	Relay (1.0) Calculated Property
Tfus	[375.60; 380.00]	K
Tfus	375.60	K	Solid-Liquid Equilibria of Nonanedioic Acid in Binary Ethanol + Water Solvent Mixtures from (292.35 to 345.52) K
Tfus	379.70 ± 1.00	K	NIST
Tfus	380.00 ± 0.50	K	NIST
Vc	0.574	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[422.42; 471.66]	J/mol×K	[697.42; 870.76]
Cp,gas	422.42	J/mol×K	697.42	Joback Calculated Property
Cp,gas	431.74	J/mol×K	726.31	Joback Calculated Property
Cp,gas	440.59	J/mol×K	755.20	Joback Calculated Property
Cp,gas	449.00	J/mol×K	784.09	Joback Calculated Property
Cp,gas	456.97	J/mol×K	812.98	Joback Calculated Property
Cp,gas	464.52	J/mol×K	841.87	Joback Calculated Property
Cp,gas	471.66	J/mol×K	870.76	Joback Calculated Property
η	[0.0000189; 0.0029117]	Pa×s	[412.69; 697.42]
η	0.0029117	Pa×s	412.69	Joback Calculated Property
η	0.0008162	Pa×s	460.15	Joback Calculated Property
η	0.0002902	Pa×s	507.60	Joback Calculated Property
η	0.0001231	Pa×s	555.06	Joback Calculated Property
η	0.0000598	Pa×s	602.51	Joback Calculated Property
η	0.0000323	Pa×s	649.96	Joback Calculated Property
η	0.0000189	Pa×s	697.42	Joback Calculated Property
ΔfusH	[29.70; 35.30]	kJ/mol	[372.40; 380.00]
ΔfusH	29.70	kJ/mol	372.40	NIST
ΔfusH	35.30	kJ/mol	375.60	NIST
ΔfusH	32.68	kJ/mol	380.00	NIST
ΔfusH	32.67	kJ/mol	380.00	NIST
ΔfusH	32.67	kJ/mol	380.00	NIST
ΔsubH	[138.00; 178.00]	kJ/mol	[302.50; 372.00]
ΔsubH	138.00	kJ/mol	302.50	NIST
ΔsubH	178.00 ± 5.00	kJ/mol	360.50	NIST
ΔsubH	156.20 ± 0.50	kJ/mol	372.00	NIST
ΔvapH	89.30	kJ/mol	540.50	NIST
ΔfusS	85.98	J/mol×K	380.00	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Azelaic acid.

Mixtures

• Azelaic acid + Ethanol + Water
• Azelaic acid + Ethanol
• Azelaic acid + Acetic acid
• Azelaic acid + Acetone
• Azelaic acid + Ethyl Acetate
• Azelaic acid + Carbon dioxide

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Vaporization, fusion and sublimation enthalpies of the dicarboxylic acids from C4 to C14 and C16
• An odd-even effect on solubility of dicarboxylic acids in organic solvents
• Critical Temperatures and Pressures of Straight-Chain Saturated Dicarboxylic Acids (C4 to C14)
• Solubility of Azelaic Acid in Supercritical Carbon Dioxide
• Solid-Liquid Equilibria of Nonanedioic Acid in Binary Ethanol + Water Solvent Mixtures from (292.35 to 345.52) K
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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