- InChI
- InChI=1S/C7H14N2O6/c1-3-4-7(2,5-14-8(10)11)6-15-9(12)13/h3-6H2,1-2H3
- InChI Key
- BLJBDLGFKNXUCB-UHFFFAOYSA-N
- Formula
- C7H14N2O6
- SMILES
-
CCCC(C)(CO[N+](=O)[O-])CO[N+](
=O)[O-] - Molecular Weight1
- 222.20
- CAS
- 10605-24-0
- Other Names
-
- 2-methyl-2-propylpropane-1,3-diyl dinitrate
- 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 |
|---|---|---|---|
| ΔfG° | -128.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -482.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.88 | kJ/mol | Joback Calculated Property |
| log10WS | -2.83 | Crippen Calculated Property | |
| logPoct/wat | 1.209 | Crippen Calculated Property | |
| McVol | 156.070 | ml/mol | McGowan Calculated Property |
| Pc | 2826.33 | kPa | Joback Calculated Property |
| Tboil | 704.85 | K | Joback Calculated Property |
| Tc | 935.06 | K | Joback Calculated Property |
| Tfus | 502.75 | K | Joback Calculated Property |
| Vc | 0.617 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [440.70; 499.85] | J/mol×K | [704.85; 935.06] | 
|
| Cp,gas | 440.70 | J/mol×K | 704.85 | Joback Calculated Property |
| Cp,gas | 452.67 | J/mol×K | 743.22 | Joback Calculated Property |
| Cp,gas | 463.77 | J/mol×K | 781.59 | Joback Calculated Property |
| Cp,gas | 474.01 | J/mol×K | 819.95 | Joback Calculated Property |
| Cp,gas | 483.42 | J/mol×K | 858.32 | Joback Calculated Property |
| Cp,gas | 492.02 | J/mol×K | 896.69 | Joback Calculated Property |
| Cp,gas | 499.85 | J/mol×K | 935.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, 2-methyl-2-n-propyl-, dinitrate.
Sources
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