Nonanedioic acid, dimethyl ester (CAS 1732-10-1)

InChI

InChI=1S/C11H20O4/c1-14-10(12)8-6-4-3-5-7-9-11(13)15-2/h3-9H2,1-2H3

InChI Key

DRUKNYVQGHETPO-UHFFFAOYSA-N

Formula

C11H20O4

SMILES

COC(=O)CCCCCCCC(=O)OC

Molecular Weight¹

216.27

CAS

1732-10-1

Other Names

Azelaic acid, dimethyl ester
Dimethyl azelaate
Dimethyl azeleate
Emery 2914
Nonadioic acid, dimethyl ester
Nonandioic acid, dimethyl ester
dimethyl azelate
dimethyl nonanedioate
methyl azelate

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_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.
I_p : 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.

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Physical Properties

Property	Value	Unit	Source
ω	0.7320		Relay (1.0) Calculated Property
Δ_cH°_solid	-6227.00	kJ/mol	NIST
Δ_fH°_gas	-872.72	kJ/mol	Relay (1.0) Calculated Property
Δ_fusH°	32.98	kJ/mol	Joback Calculated Property
Δ_vapH°	82.30 ± 0.40	kJ/mol	NIST
IE	9.52	eV	Relay (1.0) Calculated Property
log₁₀WS	-2.75		Relay (1.0) Calculated Property
logP_oct/wat	2.063		Crippen Calculated Property
McVol	180.730	ml/mol	McGowan Calculated Property
P_c	1950.95	kPa	Joback Calculated Property
I_np	[263.80; 1550.00]
I_np	1511.00		NIST
I_np	Outlier 266.60		NIST
I_np	1512.00		NIST
I_np	1511.00		NIST
I_np	1511.00		NIST
I_np	1510.00		NIST
I_np	1485.00		NIST
I_np	1548.00		NIST
I_np	1519.00		NIST
I_np	1548.10		NIST
I_np	1548.00		NIST
I_np	1550.00		NIST
I_np	1510.00		NIST
I_np	1513.00		NIST
I_np	1519.00		NIST
I_np	Outlier 266.60		NIST
I_np	Outlier 263.80		NIST
I_np	1548.00		NIST
I_np	1548.10		NIST
I_np	1513.00		NIST
I_np	1512.00		NIST
I_p	[2101.00; 2101.00]
I_p	2101.00		NIST
I_p	2101.00		NIST
I_p	2101.00		NIST
T_boil	533.44	K	Relay (1.0) Calculated Property
T_c	707.25	K	Relay (1.0) Calculated Property
T_fus	291.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
V_c	0.700	m³/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Δ_vapH	63.60	kJ/mol	476.50	NIST
P_vap	[1.90e-04; 0.11]	kPa	[298.10; 373.80]

P_vap	1.90e-04	kPa	298.10	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	2.80e-04	kPa	303.10	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	5.40e-04	kPa	308.10	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	8.00e-04	kPa	313.20	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	8.40e-04	kPa	313.20	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	1.38e-03	kPa	318.20	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	1.31e-03	kPa	318.20	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	1.67e-03	kPa	320.20	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	1.64e-03	kPa	320.20	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	2.26e-03	kPa	323.30	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	2.28e-03	kPa	323.40	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	2.78e-03	kPa	325.30	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	3.35e-03	kPa	328.30	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	3.62e-03	kPa	328.30	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	4.66e-03	kPa	330.80	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	5.49e-03	kPa	333.40	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	5.61e-03	kPa	333.40	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	7.11e-03	kPa	335.90	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	7.71e-03	kPa	338.40	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	8.58e-03	kPa	338.40	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	0.01	kPa	341.00	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	0.01	kPa	343.40	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	0.01	kPa	343.80	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	0.02	kPa	348.50	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	0.02	kPa	348.60	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	0.02	kPa	351.10	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	0.03	kPa	353.60	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	0.02	kPa	353.60	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	0.03	kPa	353.60	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	0.04	kPa	358.60	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	0.04	kPa	358.70	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	0.04	kPa	360.20	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	0.05	kPa	363.70	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	0.05	kPa	363.70	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	0.07	kPa	366.20	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	0.08	kPa	368.90	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	0.08	kPa	368.90	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	0.09	kPa	371.30	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	0.09	kPa	371.30	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	0.10	kPa	373.80	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
P_vap	0.11	kPa	373.80	Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
T_boilr	429.20	K	2.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[271.51; 603.05]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is C_p,gas in J/mol×K, T in K
Coefficient A			4.37070e+01
Coefficient B			9.39240e-01
Coefficient C			-3.85400e-04
Coefficient D			5.50000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00

C_p,gas	271.51	J/mol×K	273.00	Calculated Property
C_p,gas	328.00	J/mol×K	353.78	Calculated Property
C_p,gas	379.53	J/mol×K	434.56	Calculated Property
C_p,gas	426.13	J/mol×K	515.33	Calculated Property
C_p,gas	467.81	J/mol×K	596.11	Calculated Property
C_p,gas	504.59	J/mol×K	676.89	Calculated Property
C_p,gas	536.49	J/mol×K	757.67	Calculated Property
C_p,gas	563.52	J/mol×K	838.44	Calculated Property
C_p,gas	585.70	J/mol×K	919.22	Calculated Property
C_p,gas	603.05	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0050539; 0.0002051]	Pa×s	[291.15; 518.93]	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			-1.25884e+01
Coefficient B			2.12564e+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.			291.15
Temperature range, max.			518.93

η	0.0050539	Pa×s	291.15	Calculated Property
η	0.0028187	Pa×s	316.46	Calculated Property
η	0.0017141	Pa×s	341.77	Calculated Property
η	0.0011163	Pa×s	367.08	Calculated Property
η	0.0007684	Pa×s	392.38	Calculated Property
η	0.0005534	Pa×s	417.69	Calculated Property
η	0.0004138	Pa×s	443.00	Calculated Property
η	0.0003193	Pa×s	468.31	Calculated Property
η	0.0002530	Pa×s	493.62	Calculated Property
η	0.0002051	Pa×s	518.93	Calculated Property

Similar Compounds

Find more compounds similar to Nonanedioic acid, dimethyl ester.

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
Vapor Pressures, Enthalpies of Vaporization, and Critical Parameters of a Series of Linear Aliphatic Dimethyl Esters of Dicarboxylic Acids
Joback Method
McGowan Method
NIST Webbook

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