- InChI
- InChI=1S/C14H24N2O8/c17-11(18)7-15(8-12(19)20)5-3-1-2-4-6-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
- InChI Key
- YGDVXSDNEFDTGV-UHFFFAOYSA-N
- Formula
- C14H24N2O8
- SMILES
-
O=C(O)CN(CCCCCCN(CC(=O)O)CC(=O
)O)CC(=O)O - Molecular Weight1
- 348.35
- CAS
- 1633-00-7
- Other Names
-
- Hexamethylenediamine-N,N,N',N'-tetraacetic acid
- Hexamethylenediamine-N,N,N',N'-tetracetic acid
- Glycine, N,N'-1,6-hexanediylbis[N-(carboxymethyl)-
- hexamethylenediaminetetraacetic acid
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 1.3786 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -6995.30 ± 2.40 | kJ/mol | NIST |
| ΔfG° | -774.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1484.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -1943.30 ± 0.90 | kJ/mol | NIST |
| ΔfusH° | 60.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 171.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.511 | Crippen Calculated Property | |
| McVol | 257.840 | ml/mol | McGowan Calculated Property |
| Pc | 2640.67 | kPa | Joback Calculated Property |
| Tboil | 635.35 | K | Relay (1.0) Calculated Property |
| Tc | 904.60 | K | Relay (1.0) Calculated Property |
| Tfus | 407.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.913 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [880.58; 934.71] | J/mol×K | [1128.80; 1444.96] | 
|
| Cp,gas | 880.58 | J/mol×K | 1128.80 | Joback Calculated Property |
| Cp,gas | 891.46 | J/mol×K | 1181.49 | Joback Calculated Property |
| Cp,gas | 901.32 | J/mol×K | 1234.19 | Joback Calculated Property |
| Cp,gas | 910.37 | J/mol×K | 1286.88 | Joback Calculated Property |
| Cp,gas | 918.82 | J/mol×K | 1339.57 | Joback Calculated Property |
| Cp,gas | 926.86 | J/mol×K | 1392.27 | Joback Calculated Property |
| Cp,gas | 934.71 | J/mol×K | 1444.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,6-Diaminohexane-N,N,N',N'-tetraacetic acid.
Sources
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