- InChI
- InChI=1S/C17H34N2O4/c1-14(2)12-22-16(20)18-10-8-6-5-7-9-11-19-17(21)23-13-15(3)4/h14-15H,5-13H2,1-4H3,(H,18,20)(H,19,21)
- InChI Key
- DIAFLJQXUJNXDC-UHFFFAOYSA-N
- Formula
- C17H34N2O4
- SMILES
-
CC(C)COC(=O)NCCCCCCCNC(=O)OCC(
C)C - Molecular Weight1
- 330.46
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -201.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -787.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.84 | kJ/mol | Joback Calculated Property |
| log10WS | -4.51 | Crippen Calculated Property | |
| logPoct/wat | 3.701 | Crippen Calculated Property | |
| McVol | 285.230 | ml/mol | McGowan Calculated Property |
| Pc | 1355.63 | kPa | Joback Calculated Property |
| Inp | 2447.00 | NIST | |
| Tboil | 840.40 | K | Joback Calculated Property |
| Tc | 1032.65 | K | Joback Calculated Property |
| Tfus | 500.99 | K | Joback Calculated Property |
| Vc | 1.093 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [915.78; 997.52] | J/mol×K | [840.40; 1032.65] | 
|
| Cp,gas | 915.78 | J/mol×K | 840.40 | Joback Calculated Property |
| Cp,gas | 932.05 | J/mol×K | 872.44 | Joback Calculated Property |
| Cp,gas | 947.24 | J/mol×K | 904.48 | Joback Calculated Property |
| Cp,gas | 961.37 | J/mol×K | 936.53 | Joback Calculated Property |
| Cp,gas | 974.45 | J/mol×K | 968.57 | Joback Calculated Property |
| Cp,gas | 986.49 | J/mol×K | 1000.61 | Joback Calculated Property |
| Cp,gas | 997.52 | J/mol×K | 1032.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,7-Diaminoheptane, bis-iso-BOC.
Sources
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