- InChI
- InChI=1S/C18H32N6O7/c1-7(19)13(25)20-8(2)14(26)21-9(3)15(27)22-10(4)16(28)23-11(5)17(29)24-12(6)18(30)31/h7-12H,19H2,1-6H3,(H,20,25)(H,21,26)(H,22,27)(H,23,28)(H,24,29)(H,30,31)/t7-,8-,9-,10-,11-,12-/m1/s1
- InChI Key
- ZLHDFPIXRRJBKM-PAUJSFGCSA-N
- Formula
- C18H32N6O7
- SMILES
-
CC(N)C(=O)NC(C)C(=O)NC(C)C(=O)
NC(C)C(=O)NC(C)C(=O)NC(C)C(=O) O - Molecular Weight1
- 444.48
- CAS
- 111652-29-0
- BasG : Gas basicity (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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- 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 |
|---|---|---|---|
| BasG | 981.30 | kJ/mol | NIST |
| ΔfG° | -310.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -973.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 153.31 | kJ/mol | Joback Calculated Property |
| log10WS | -1.38 | Crippen Calculated Property | |
| logPoct/wat | -3.058 | Crippen Calculated Property | |
| McVol | 339.650 | ml/mol | McGowan Calculated Property |
| Pc | 1880.53 | kPa | Joback Calculated Property |
| Tboil | 1347.38 | K | Joback Calculated Property |
| Tc | 1713.37 | K | Joback Calculated Property |
| Tfus | 909.58 | K | Joback Calculated Property |
| Vc | 1.266 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1192.94; 1199.61] | J/mol×K | [1347.38; 1713.37] | 
|
| Cp,gas | 1194.60 | J/mol×K | 1347.38 | Joback Calculated Property |
| Cp,gas | 1198.05 | J/mol×K | 1408.38 | Joback Calculated Property |
| Cp,gas | 1199.61 | J/mol×K | 1469.38 | Joback Calculated Property |
| Cp,gas | 1199.58 | J/mol×K | 1530.38 | Joback Calculated Property |
| Cp,gas | 1198.26 | J/mol×K | 1591.37 | Joback Calculated Property |
| Cp,gas | 1195.95 | J/mol×K | 1652.37 | Joback Calculated Property |
| Cp,gas | 1192.94 | J/mol×K | 1713.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to hexa-L-alanine.
Sources
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