Chemical Properties of Octanedioic acid (CAS 505-48-6)

InChI

InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)

InChI Key

TYFQFVWCELRYAO-UHFFFAOYSA-N

Formula

C8H14O4

SMILES

O=C(O)CCCCCCC(=O)O

Molecular Weight¹

174.19

CAS

505-48-6

Other Names

• 1,6-Dicarboxyhexane
• 1,6-Hexanedicarboxylic acid
• 1,8-Octanedioic acid
• Cork acid
• Hexamethylenedicarboxylic acid
• Octane-1,8-dioic acid
• Suberic 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).
• 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	0.9213		Relay (1.0) Calculated Property
ΔcH°solid	-4110.90 ± 1.30	kJ/mol	NIST
ΔfG°	-515.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-885.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	[2.00; 30.52]	kJ/mol
ΔfusH°	2.00	kJ/mol	Vaporization, fusion and sublimation enthalpies of the dicarboxylic acids from C4 to C14 and C16
ΔfusH°	30.52	kJ/mol	Solid Liquid Equilibria for Six Binary Mixtures of Pentanedioic Acid, Octanedioic Acid, 3-Methylheptanedioic Acid, 2,2-Dimethylbutanedioic Acid, and 2,3-Dimethylbutanedioic Acid
ΔsubH°	[143.00; 147.80]	kJ/mol
ΔsubH°	147.80 ± 3.80	kJ/mol	NIST
ΔsubH°	143.00 ± 4.00	kJ/mol	NIST
ΔvapH°	116.70 ± 0.80	kJ/mol	NIST
IE	9.96	eV	Relay (1.0) Calculated Property
log10WS	-1.96		Aq. Solubility Prediction
logPoct/wat	1.496		Crippen Calculated Property
McVol	138.460	ml/mol	McGowan Calculated Property
Pc	2970.00	kPa	Critical Temperatures and Pressures of Straight-Chain Saturated Dicarboxylic Acids (C4 to C14)
Tboil	545.30	K	Relay (1.0) Calculated Property
Tc	761.02	K	Relay (1.0) Calculated Property
Tfus	[410.00; 417.00]	K
Tfus	416.65	K	Aq. Solubility Prediction
Tfus	415.50 ± 0.40	K	NIST
Tfus	415.50 ± 0.30	K	NIST
Tfus	417.00 ± 1.50	K	NIST
Tfus	415.50 ± 0.50	K	NIST
Tfus	413.00 ± 4.00	K	NIST
Tfus	Outlier 410.00 ± 3.00	K	NIST
Vc	0.518	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[372.64; 418.19]	J/mol×K	[674.54; 847.61]
Cp,gas	372.64	J/mol×K	674.54	Joback Calculated Property
Cp,gas	381.25	J/mol×K	703.39	Joback Calculated Property
Cp,gas	389.43	J/mol×K	732.23	Joback Calculated Property
Cp,gas	397.21	J/mol×K	761.08	Joback Calculated Property
Cp,gas	404.58	J/mol×K	789.92	Joback Calculated Property
Cp,gas	411.58	J/mol×K	818.77	Joback Calculated Property
Cp,gas	418.19	J/mol×K	847.61	Joback Calculated Property
η	[0.0000238; 0.0036765]	Pa×s	[401.42; 674.54]
η	0.0036765	Pa×s	401.42	Joback Calculated Property
η	0.0010352	Pa×s	446.94	Joback Calculated Property
η	0.0003684	Pa×s	492.46	Joback Calculated Property
η	0.0001562	Pa×s	537.98	Joback Calculated Property
η	0.0000757	Pa×s	583.50	Joback Calculated Property
η	0.0000407	Pa×s	629.02	Joback Calculated Property
η	0.0000238	Pa×s	674.54	Joback Calculated Property
ΔfusH	[28.82; 30.70]	kJ/mol	[413.20; 415.30]
ΔfusH	30.70	kJ/mol	413.20	NIST
ΔfusH	28.82	kJ/mol	415.30	NIST
ΔfusH	28.82	kJ/mol	415.30	NIST
ΔsubH	[143.10; 168.00]	kJ/mol	[315.00; 393.00]
ΔsubH	148.00	kJ/mol	315.00	NIST
ΔsubH	168.00 ± 7.00	kJ/mol	363.00	NIST
ΔsubH	143.10 ± 3.80	kJ/mol	393.00	NIST
ΔvapH	91.40	kJ/mol	532.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[493.40; 646.40]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.77470e+01
Coefficient B			-6.61200e+03
Coefficient C			-1.14691e+02
Temperature range, min.			493.40
Temperature range, max.			646.40
Pvap	1.33	kPa	493.40	Calculated Property
Pvap	2.82	kPa	510.40	Calculated Property
Pvap	5.62	kPa	527.40	Calculated Property
Pvap	10.59	kPa	544.40	Calculated Property
Pvap	19.02	kPa	561.40	Calculated Property
Pvap	32.72	kPa	578.40	Calculated Property
Pvap	54.18	kPa	595.40	Calculated Property
Pvap	86.67	kPa	612.40	Calculated Property
Pvap	134.40	kPa	629.40	Calculated Property
Pvap	202.67	kPa	646.40	Calculated Property
Pvap	[2.20e-04; 110.52]	kPa	[379.15; 619.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.35392e+03
Coefficient B			-8.05167e+04
Coefficient C			-1.96409e+02
Coefficient D			1.13237e-04
Temperature range, min.			379.15
Temperature range, max.			619.15
Pvap	2.20e-04	kPa	379.15	Calculated Property
Pvap	4.32e-03	kPa	405.82	Calculated Property
Pvap	0.04	kPa	432.48	Calculated Property
Pvap	0.24	kPa	459.15	Calculated Property
Pvap	0.96	kPa	485.82	Calculated Property
Pvap	3.02	kPa	512.48	Calculated Property
Pvap	8.09	kPa	539.15	Calculated Property
Pvap	19.75	kPa	565.82	Calculated Property
Pvap	46.54	kPa	592.48	Calculated Property
Pvap	110.52	kPa	619.15	Calculated Property

Similar Compounds

Find more compounds similar to Octanedioic acid.

Mixtures

• Octanedioic acid + Pentanedioic acid
• Octanedioic acid + 2,2-Dimethylbutanedioic acid
• Octanedioic acid + Acetone
• Octanedioic acid + Ethyl Acetate
• Octanedioic acid + Methyl Alcohol
• 1-Propanol + Octanedioic acid
• Octanedioic acid + Water
• Octanedioic acid + Tetrahydrofuran
• Octanedioic acid + Ethanol
• Octanedioic acid + Isopropyl Alcohol
• Octanedioic acid + Acetic acid

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Determination of the solubility, dissolution enthalpy and entropy of suberic acid in different solvents
• 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)
• Solid Liquid Equilibria for Six Binary Mixtures of Pentanedioic Acid, Octanedioic Acid, 3-Methylheptanedioic Acid, 2,2-Dimethylbutanedioic Acid, and 2,3-Dimethylbutanedioic Acid
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.