Chemical Properties of Nonanedioic acid

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

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
• Skinoren
• ZK-62498
• azelaic acid
• 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).
• P_vap : Vapor 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°	-662.92	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; 1672.20]
Inp	1672.20		NIST
Inp	1672.20		NIST
Tboil	552.67	K	Relay (1.0) Calculated Property
Tc	773.99	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	379.65	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	379.70 ± 1.00	K	NIST
Tfus	380.00 ± 0.50	K	NIST
Vc	0.588	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[223.65; 505.21]	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			3.90700e+00
Coefficient B			9.60400e-01
Coefficient C			-6.11000e-04
Coefficient D			1.51900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	223.65	J/mol×K	273.00	Calculated Property
Cp,gas	273.93	J/mol×K	353.78	Calculated Property
Cp,gas	318.34	J/mol×K	434.56	Calculated Property
Cp,gas	357.36	J/mol×K	515.33	Calculated Property
Cp,gas	391.47	J/mol×K	596.11	Calculated Property
Cp,gas	421.15	J/mol×K	676.89	Calculated Property
Cp,gas	446.89	J/mol×K	757.67	Calculated Property
Cp,gas	469.16	J/mol×K	838.44	Calculated Property
Cp,gas	488.43	J/mol×K	919.22	Calculated Property
Cp,gas	505.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045364; 0.0002743]	Pa×s	[378.74; 625.15]	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			-1.25134e+01
Coefficient B			2.69576e+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.			378.74
Temperature range, max.			625.15
η	0.0045364	Pa×s	378.74	Calculated Property
η	0.0028075	Pa×s	406.12	Calculated Property
η	0.0018460	Pa×s	433.50	Calculated Property
η	0.0012759	Pa×s	460.87	Calculated Property
η	0.0009191	Pa×s	488.25	Calculated Property
η	0.0006855	Pa×s	515.63	Calculated Property
η	0.0005267	Pa×s	543.01	Calculated Property
η	0.0004150	Pa×s	570.39	Calculated Property
η	0.0003342	Pa×s	597.77	Calculated Property
η	0.0002743	Pa×s	625.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 100.12]	kPa	[451.50; 629.70]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.86581e+01
Coefficient B			-7.82104e+03
Coefficient C			-7.31100e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			451.50
Temperature range, max.			629.70
Pvap	0.13	kPa	451.50	Calculated Property
Pvap	0.37	kPa	471.30	Calculated Property
Pvap	0.95	kPa	491.10	Calculated Property
Pvap	2.21	kPa	510.90	Calculated Property
Pvap	4.79	kPa	530.70	Calculated Property
Pvap	9.73	kPa	550.50	Calculated Property
Pvap	18.68	kPa	570.30	Calculated Property
Pvap	34.13	kPa	590.10	Calculated Property
Pvap	59.63	kPa	609.90	Calculated Property
Pvap	100.12	kPa	629.70	Calculated Property

Similar Compounds

Find more compounds similar to Nonanedioic acid.

Mixtures

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

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
• 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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