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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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
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°	91.79	kJ/mol	Joback Calculated Property
logPoct/wat	-2.685		Crippen Calculated Property
McVol	275.260	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[988.39; 1107.02]	J/mol×K	[1284.79; 1608.19]
Cp,gas	988.39	J/mol×K	1284.79	Joback Calculated Property
Cp,gas	1004.00	J/mol×K	1338.69	Joback Calculated Property
Cp,gas	1020.77	J/mol×K	1392.59	Joback Calculated Property
Cp,gas	1039.07	J/mol×K	1446.49	Joback Calculated Property
Cp,gas	1059.29	J/mol×K	1500.39	Joback Calculated Property
Cp,gas	1081.82	J/mol×K	1554.29	Joback Calculated Property
Cp,gas	1107.02	J/mol×K	1608.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentetic Acid.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.
These property values are available through the Cheméo API. A free account gives you an access key.