- InChI
- InChI=1S/C13H26N2O4/c1-10(2)8-18-12(16)14-6-5-7-15-13(17)19-9-11(3)4/h10-11H,5-9H2,1-4H3,(H,14,16)(H,15,17)
- InChI Key
- ABAUDNZDYWBCOE-UHFFFAOYSA-N
- Formula
- C13H26N2O4
- SMILES
- CC(C)COC(=O)NCCCNC(=O)OCC(C)C
- Molecular Weight1
- 274.36
- 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 | 0.8723 | Relay (1.0) Calculated Property | |
| ΔfG° | -235.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -982.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.141 | Crippen Calculated Property | |
| McVol | 228.870 | ml/mol | McGowan Calculated Property |
| Pc | 1838.84 | kPa | Joback Calculated Property |
| Inp | [2004.00; 2004.00] |
|
|
| Inp | 2004.00 | NIST | |
| Inp | 2004.00 | NIST | |
| Tboil | 580.31 | K | Relay (1.0) Calculated Property |
| Tc | 774.08 | K | Relay (1.0) Calculated Property |
| Tfus | 304.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.859 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [684.30; 760.80] | J/mol×K | [748.88; 936.27] |
|
| Cp,gas | 684.30 | J/mol×K | 748.88 | Joback Calculated Property |
| Cp,gas | 699.19 | J/mol×K | 780.11 | Joback Calculated Property |
| Cp,gas | 713.22 | J/mol×K | 811.34 | Joback Calculated Property |
| Cp,gas | 726.39 | J/mol×K | 842.58 | Joback Calculated Property |
| Cp,gas | 738.70 | J/mol×K | 873.81 | Joback Calculated Property |
| Cp,gas | 750.17 | J/mol×K | 905.04 | Joback Calculated Property |
| Cp,gas | 760.80 | J/mol×K | 936.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Diaminopropane, bis-isoBOC.
Sources
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