Chemical Properties of Decanedioic acid (CAS 111-20-6)

InChI

InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)

InChI Key

CXMXRPHRNRROMY-UHFFFAOYSA-N

Formula

C10H18O4

SMILES

O=C(O)CCCCCCCCC(=O)O

Molecular Weight¹

202.25

CAS

111-20-6

Other Names

• 1,10-Decanedioic acid
• 1,8-Octanedicarboxylic acid
• Decanedicarboxylic acid
• NSC 19492
• Sebacic acid
• Seracic acid
• USAF HC-1
• n-Decanedioic 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_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).
• 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	0.9950		Relay (1.0) Calculated Property
ΔcH°solid	-5425.00 ± 2.10	kJ/mol	NIST
ΔfG°	-498.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-925.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	[0.40; 46.11]	kJ/mol
ΔfusH°	0.40	kJ/mol	Vaporization, fusion and sublimation enthalpies of the dicarboxylic acids from C4 to C14 and C16
ΔfusH°	46.11	kJ/mol	Thermal analysis of phase change materials in the temperature range 120.150 .C
ΔfusH°	44.90	kJ/mol	Measurement of enthalpy curves of phase change materials via DSC and T-History: When are both methods needed to estimate the behaviour of the bulk material in applications?
ΔsubH°	161.00 ± 3.00	kJ/mol	NIST
ΔvapH°	124.80	kJ/mol	NIST
IE	9.80	eV	Relay (1.0) Calculated Property
log10WS	-2.37		Relay (1.0) Calculated Property
logPoct/wat	2.276		Crippen Calculated Property
McVol	166.640	ml/mol	McGowan Calculated Property
Pc	2500.00	kPa	Critical Temperatures and Pressures of Straight-Chain Saturated Dicarboxylic Acids (C4 to C14)
Tboil	559.88	K	Relay (1.0) Calculated Property
Tc	777.04	K	Relay (1.0) Calculated Property
Tfus	[404.00; 407.00]	K
Tfus	404.00 ± 0.40	K	NIST
Tfus	405.00 ± 1.50	K	NIST
Tfus	404.00 ± 0.50	K	NIST
Tfus	407.00 ± 2.00	K	NIST
Tfus	406.90 ± 1.00	K	NIST
Vc	0.630	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[473.58; 526.27]	J/mol×K	[720.30; 894.41]
Cp,gas	473.58	J/mol×K	720.30	Joback Calculated Property
Cp,gas	483.56	J/mol×K	749.32	Joback Calculated Property
Cp,gas	493.05	J/mol×K	778.34	Joback Calculated Property
Cp,gas	502.04	J/mol×K	807.35	Joback Calculated Property
Cp,gas	510.57	J/mol×K	836.37	Joback Calculated Property
Cp,gas	518.64	J/mol×K	865.39	Joback Calculated Property
Cp,gas	526.27	J/mol×K	894.41	Joback Calculated Property
η	[0.0000151; 0.0023069]	Pa×s	[423.96; 720.30]
η	0.0023069	Pa×s	423.96	Joback Calculated Property
η	0.0006441	Pa×s	473.35	Joback Calculated Property
η	0.0002289	Pa×s	522.74	Joback Calculated Property
η	0.0000972	Pa×s	572.13	Joback Calculated Property
η	0.0000473	Pa×s	621.52	Joback Calculated Property
η	0.0000256	Pa×s	670.91	Joback Calculated Property
η	0.0000151	Pa×s	720.30	Joback Calculated Property
ΔfusH	[40.80; 46.90]	kJ/mol	[403.90; 405.70]
ΔfusH	46.60	kJ/mol	403.90	NIST
ΔfusH	40.81	kJ/mol	404.00	NIST
ΔfusH	40.80	kJ/mol	404.00	NIST
ΔfusH	40.80	kJ/mol	404.00	NIST
ΔfusH	45.30	kJ/mol	405.60	NIST
ΔfusH	46.90	kJ/mol	405.70	NIST
ΔsubH	[146.50; 181.00]	kJ/mol	[311.00; 389.00]
ΔsubH	146.50	kJ/mol	311.00	NIST
ΔsubH	181.00 ± 8.00	kJ/mol	369.00	NIST
ΔsubH	160.70 ± 2.50	kJ/mol	389.00	NIST
ΔvapH	85.90	kJ/mol	540.50	NIST
ΔfusS	101.00	J/mol×K	404.00	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[546.20; 568.20]	K	[6.70; 13.30]
Tboilr	546.20	K	6.70	NIST
Tboilr	568.20	K	13.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[507.74; 679.47]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.69408e+01
Coefficient B			-6.61985e+03
Coefficient C			-1.10231e+02
Temperature range, min.			507.74
Temperature range, max.			679.47
Pvap	1.33	kPa	507.74	Calculated Property
Pvap	2.86	kPa	526.82	Calculated Property
Pvap	5.73	kPa	545.90	Calculated Property
Pvap	10.85	kPa	564.98	Calculated Property
Pvap	19.49	kPa	584.06	Calculated Property
Pvap	33.47	kPa	603.15	Calculated Property
Pvap	55.22	kPa	622.23	Calculated Property
Pvap	87.87	kPa	641.31	Calculated Property
Pvap	135.39	kPa	660.39	Calculated Property
Pvap	202.65	kPa	679.47	Calculated Property

Similar Compounds

Find more compounds similar to Decanedioic acid.

Mixtures

• 1,2-Ethanediol + Decanedioic acid
• Ethanol + Decanedioic acid + Cyclohexane
• Ethanol + Decanedioic acid + Heptane
• 1,2-Ethanediol + Decanedioic acid + Water
• Ethanol + Decanedioic acid
• Acetic acid + Decanedioic acid
• Acetone + Decanedioic acid
• Decanedioic acid + Ethyl Acetate
• Decanedioic acid + Water
• Ethanol + Decanedioic acid + Water
• 1-Propanol + Decanedioic acid
• 1-Propanol + Decanedioic acid + Water
• 1-Butanol + Decanedioic acid
• Decanedioic acid + 1-Pentanol
• Decanedioic acid + 1-Hexanol
• Isopropyl Alcohol + Decanedioic acid
• Isopropyl Alcohol + Decanedioic acid + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solubility of decanedioic acid in binary solvent mixtures
• 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
• Thermal analysis of phase change materials in the temperature range 120.150 .C
• Measurement of enthalpy curves of phase change materials via DSC and T-History: When are both methods needed to estimate the behaviour of the bulk material in applications?
• Critical Temperatures and Pressures of Straight-Chain Saturated Dicarboxylic Acids (C4 to C14)
• Solubility of Sebacic Acid in Binary Water + Ethanol Solvent Mixtures
• Solubility of Sebacic Acid in Binary Mixtures Containing Alcohols
• Measurement and Correlation of Solubilities of Decanedioic Acid in C4-C6 Alcohol Solvents
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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