- InChI
- InChI=1S/C16H32N2O4/c1-13(2)11-21-15(19)17-9-7-5-6-8-10-18-16(20)22-12-14(3)4/h13-14H,5-12H2,1-4H3,(H,17,19)(H,18,20)
- InChI Key
- TWGHOHVZYIUFEM-UHFFFAOYSA-N
- Formula
- C16H32N2O4
- SMILES
-
CC(C)COC(=O)NCCCCCCNC(=O)OCC(C
)C - Molecular Weight1
- 316.44
- ω : Acentric Factor.
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.9815 | Relay (1.0) Calculated Property | |
| ΔfG° | -210.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1038.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.70 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.311 | Crippen Calculated Property | |
| McVol | 271.140 | ml/mol | McGowan Calculated Property |
| Pc | 1456.79 | kPa | Joback Calculated Property |
| Inp | 2342.00 | NIST | |
| Tboil | 599.57 | K | Relay (1.0) Calculated Property |
| Tc | 802.52 | K | Relay (1.0) Calculated Property |
| Tfus | 317.20 | K | Relay (1.0) Calculated Property |
| Vc | 1.022 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [856.59; 937.20] | J/mol×K | [817.52; 1007.54] | 
|
| Cp,gas | 856.59 | J/mol×K | 817.52 | Joback Calculated Property |
| Cp,gas | 872.53 | J/mol×K | 849.19 | Joback Calculated Property |
| Cp,gas | 887.45 | J/mol×K | 880.86 | Joback Calculated Property |
| Cp,gas | 901.37 | J/mol×K | 912.53 | Joback Calculated Property |
| Cp,gas | 914.29 | J/mol×K | 944.20 | Joback Calculated Property |
| Cp,gas | 926.23 | J/mol×K | 975.87 | Joback Calculated Property |
| Cp,gas | 937.20 | J/mol×K | 1007.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,6-Diaminohexane, bis-iso-BOC.
Sources
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