Chemical Properties of Tridecanedioic acid (CAS 505-52-2)

InChI

InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)

InChI Key

DXNCZXXFRKPEPY-UHFFFAOYSA-N

Formula

C13H24O4

SMILES

O=C(O)CCCCCCCCCCCC(=O)O

Molecular Weight¹

244.33

CAS

505-52-2

Other Names

• .alpha.,.omega.-tridecanedioic acid
• 1,11-Undecanedicarboxylic acid
• 1,13-Tridecanedioic acid
• Brassilic acid
• Brassylic 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_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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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	1.1048		Relay (1.0) Calculated Property
ΔcH°solid	-7397.30 ± 3.30	kJ/mol	NIST
ΔfG°	-472.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-984.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.40	kJ/mol	Vaporization, fusion and sublimation enthalpies of the dicarboxylic acids from C4 to C14 and C16
ΔvapH°	137.74	kJ/mol	Relay (1.0) Calculated Property
IE	9.76	eV	Relay (1.0) Calculated Property
log10WS	-3.55		Relay (1.0) Calculated Property
logPoct/wat	3.447		Crippen Calculated Property
McVol	208.910	ml/mol	McGowan Calculated Property
Pc	2151.31	kPa	Joback Calculated Property
Tboil	580.31	K	Relay (1.0) Calculated Property
Tc	801.56	K	Relay (1.0) Calculated Property
Tfus	[386.21; 387.50]	K
Tfus	386.21	K	Solubility of tridecanedioic acid in pure solvent systems: An experimental and computational study
Tfus	387.50 ± 0.50	K	NIST
Vc	0.797	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[634.46; 696.66]	J/mol×K	[788.94; 968.90]
Cp,gas	634.46	J/mol×K	788.94	Joback Calculated Property
Cp,gas	646.32	J/mol×K	818.93	Joback Calculated Property
Cp,gas	657.56	J/mol×K	848.93	Joback Calculated Property
Cp,gas	668.18	J/mol×K	878.92	Joback Calculated Property
Cp,gas	678.23	J/mol×K	908.91	Joback Calculated Property
Cp,gas	687.71	J/mol×K	938.90	Joback Calculated Property
Cp,gas	696.66	J/mol×K	968.90	Joback Calculated Property
η	[0.0000077; 0.0011525]	Pa×s	[457.77; 788.94]
η	0.0011525	Pa×s	457.77	Joback Calculated Property
η	0.0003189	Pa×s	512.96	Joback Calculated Property
η	0.0001133	Pa×s	568.16	Joback Calculated Property
η	0.0000483	Pa×s	623.36	Joback Calculated Property
η	0.0000237	Pa×s	678.55	Joback Calculated Property
η	0.0000129	Pa×s	733.74	Joback Calculated Property
η	0.0000077	Pa×s	788.94	Joback Calculated Property
ΔfusH	[45.30; 49.40]	kJ/mol	[386.30; 387.50]
ΔfusH	49.40	kJ/mol	386.30	NIST
ΔfusH	45.30	kJ/mol	387.50	NIST
ΔfusS	116.90	J/mol×K	387.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[526.87; 727.52]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53406e+01
Coefficient B			-6.02945e+03
Coefficient C			-1.26323e+02
Temperature range, min.			526.87
Temperature range, max.			727.52
Pvap	1.33	kPa	526.87	Calculated Property
Pvap	2.95	kPa	549.16	Calculated Property
Pvap	6.02	kPa	571.46	Calculated Property
Pvap	11.49	kPa	593.75	Calculated Property
Pvap	20.67	kPa	616.05	Calculated Property
Pvap	35.33	kPa	638.34	Calculated Property
Pvap	57.75	kPa	660.64	Calculated Property
Pvap	90.75	kPa	682.93	Calculated Property
Pvap	137.72	kPa	705.23	Calculated Property
Pvap	202.65	kPa	727.52	Calculated Property

Similar Compounds

Find more compounds similar to Tridecanedioic acid.

Mixtures

• Methyl Alcohol + Tridecanedioic acid
• Ethanol + Tridecanedioic acid
• Acetic acid + Tridecanedioic acid
• Acetone + Tridecanedioic acid
• Ethyl Acetate + Tridecanedioic 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
• Solubility of tridecanedioic acid in pure solvent systems: An experimental and computational study
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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