Chemical Properties of Hexadecanedioic acid (CAS 505-54-4)

InChI

InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)

InChI Key

QQHJDPROMQRDLA-UHFFFAOYSA-N

Formula

C16H30O4

SMILES

O=C(O)CCCCCCCCCCCCCCC(=O)O

Molecular Weight¹

286.41

CAS

505-54-4

Other Names

• .alpha.,.omega.-tetradecanedicarboxylic acid
• 1,14-tetradecanedicarboxylic acid
• 1,16-hexadecanedioic acid
• Hexadecane-1,16-dioic acid
• n-Tetradecane-«omega»,«omega»'-dicarboxylic acid
• thapsic acid

• ω : Acentric Factor.
• 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).
• 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_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	1.2134		Relay (1.0) Calculated Property
ΔfG°	-603.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-1041.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.20	kJ/mol	Vaporization, fusion and sublimation enthalpies of the dicarboxylic acids from C4 to C14 and C16
ΔsubH°	[151.00; 155.40]	kJ/mol
ΔsubH°	151.00 ± 3.00	kJ/mol	NIST
ΔsubH°	155.40 ± 3.30	kJ/mol	NIST
ΔvapH°	148.33	kJ/mol	Relay (1.0) Calculated Property
IE	9.81	eV	Relay (1.0) Calculated Property
log10WS	-4.56		Relay (1.0) Calculated Property
logPoct/wat	4.617		Crippen Calculated Property
McVol	251.180	ml/mol	McGowan Calculated Property
Pc	1506.98	kPa	Joback Calculated Property
Tboil	599.82	K	Relay (1.0) Calculated Property
Tc	830.56	K	Relay (1.0) Calculated Property
Tfus	400.16	K	Relay (1.0) Calculated Property
Vc	0.977	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[372.15; 866.34]	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			-2.45600e+00
Coefficient B			1.62540e+00
Coefficient C			-9.91800e-04
Coefficient D			2.35200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	372.15	J/mol×K	273.00	Calculated Property
Cp,gas	458.86	J/mol×K	353.78	Calculated Property
Cp,gas	535.88	J/mol×K	434.56	Calculated Property
Cp,gas	603.96	J/mol×K	515.33	Calculated Property
Cp,gas	663.85	J/mol×K	596.11	Calculated Property
Cp,gas	716.28	J/mol×K	676.89	Calculated Property
Cp,gas	762.00	J/mol×K	757.67	Calculated Property
Cp,gas	801.76	J/mol×K	838.44	Calculated Property
Cp,gas	836.29	J/mol×K	919.22	Calculated Property
Cp,gas	866.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004046; 0.0001314]	Pa×s	[591.28; 737.41]	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			-1.34866e+01
Coefficient B			3.35488e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			591.28
Temperature range, max.			737.41
η	0.0004046	Pa×s	591.28	Calculated Property
η	0.0003477	Pa×s	607.52	Calculated Property
η	0.0003011	Pa×s	623.75	Calculated Property
η	0.0002627	Pa×s	639.99	Calculated Property
η	0.0002307	Pa×s	656.23	Calculated Property
η	0.0002040	Pa×s	672.46	Calculated Property
η	0.0001813	Pa×s	688.70	Calculated Property
η	0.0001621	Pa×s	704.93	Calculated Property
η	0.0001456	Pa×s	721.17	Calculated Property
η	0.0001314	Pa×s	737.41	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[539.67; 770.44]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42133e+01
Coefficient B			-5.69422e+03
Coefficient C			-1.30771e+02
Temperature range, min.			539.67
Temperature range, max.			770.44
Pvap	1.33	kPa	539.67	Calculated Property
Pvap	3.03	kPa	565.31	Calculated Property
Pvap	6.29	kPa	590.95	Calculated Property
Pvap	12.09	kPa	616.59	Calculated Property
Pvap	21.76	kPa	642.23	Calculated Property
Pvap	37.02	kPa	667.88	Calculated Property
Pvap	60.02	kPa	693.52	Calculated Property
Pvap	93.28	kPa	719.16	Calculated Property
Pvap	139.73	kPa	744.80	Calculated Property
Pvap	202.64	kPa	770.44	Calculated Property

Similar Compounds

Find more compounds similar to Hexadecanedioic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vaporization, fusion and sublimation enthalpies of the dicarboxylic acids from C4 to C14 and C16
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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