Chemical Properties of Pentetic Acid (CAS 67-43-6)

InChI

InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)

InChI Key

QPCDCPDFJACHGM-UHFFFAOYSA-N

Formula

C14H23N3O10

SMILES

O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O

Molecular Weight¹

393.35

CAS

67-43-6

Other Names

• N,N-Bis(2-(bis-(carboxymethyl)amino)ethyl)-glycine
• Diethylenetriaminepentaacetic acid
• Diethylenetriaminepentacetic acid
• (((Carboxymethyl)imino)bis(ethylenenitrilo))-tetraacetic acid
• Glycine, N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-
• (Diethylenetrinitrilo)pentaacetic acid
• Acetic acid, ((carboxymethylimino)bis(ethylenenitrilo))tetra-
• Acetic acid, 2,2',2'',2'''-(((carboxymethyl)imino)bis(2,1-ethanediylnitrilo))tetrakis-
• Chel 330 acid
• Complexon V
• Dabeersen 503
• Detapac
• Detarex
• Diethylenetriamine-N,N,N',N'',N''-pentaacetic acid
• DETP
• DETPA
• DTPA
• Hamp-ex acid
• Monaquest CAI
• Pentacarboxymethyldiethylenetriamine
• Penthamil
• Penthanil
• Perma kleer
• 1,1,4,7,7-Diethylenetriaminepentaacetic acid
• 3,6,9-Triazaundecanedioic acid, 3,6,9-tris(carboxymethyl)-
• Chel DTPA
• NSC 7340
• Titriplex V
• N-carboxymethyliminobis(ethylenenitrilo)tetra(acetic acid)

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase 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).
• 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).
• 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
ΔcH°solid	[-6571.00; -6516.70]	kJ/mol
ΔcH°solid	-6516.70 ± 5.20	kJ/mol	NIST
ΔcH°solid	-6571.00 ± 0.80	kJ/mol	NIST
ΔfG°	-929.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-1453.75	kJ/mol	Joback Calculated Property
ΔfH°solid	[-2279.50; -2225.00]	kJ/mol
ΔfH°solid	-2279.50 ± 5.30	kJ/mol	NIST
ΔfH°solid	-2225.00 ± 0.80	kJ/mol	NIST
ΔfusH°	69.51	kJ/mol	Joback Calculated Property
ΔvapH°	170.01	kJ/mol	Joback Calculated Property
log10WS	3.11		Crippen Calculated Property
logPoct/wat	-2.685		Crippen Calculated Property
McVol	275.260	ml/mol	McGowan Calculated Property
Pc	3110.57	kPa	Joback Calculated Property
Tboil	1287.29	K	Joback Calculated Property
Tc	1769.41	K	Joback Calculated Property
Tfus	898.70	K	Joback Calculated Property
Vc	0.999	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[955.04; 1044.97]	J/mol×K	[1287.29; 1769.41]
Cp,gas	955.04	J/mol×K	1287.29	Joback Calculated Property
Cp,gas	967.88	J/mol×K	1367.64	Joback Calculated Property
Cp,gas	980.45	J/mol×K	1448.00	Joback Calculated Property
Cp,gas	993.60	J/mol×K	1528.35	Joback Calculated Property
Cp,gas	1008.17	J/mol×K	1608.70	Joback Calculated Property
Cp,gas	1025.01	J/mol×K	1689.06	Joback Calculated Property
Cp,gas	1044.97	J/mol×K	1769.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentetic Acid.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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