- InChI
- InChI=1S/C4H8N2O6/c1-4(12-6(9)10)2-3-11-5(7)8/h4H,2-3H2,1H3
- InChI Key
- DGFBULNMARLFTH-UHFFFAOYSA-N
- Formula
- C4H8N2O6
- SMILES
-
CC(CCO[N+](=O)[O-])O[N+](=O)[O
-] - Molecular Weight1
- 180.12
- CAS
- 6423-44-5
- Other Names
-
- 4-nitrooxybutan-2-yl nitrate
- ΔcH°liquid : Standard liquid enthalpy of combustion (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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 |
|---|---|---|---|
| ΔcH°liquid | -2377.00 | kJ/mol | NIST |
| ΔfG° | -158.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -417.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.11 | kJ/mol | Joback Calculated Property |
| log10WS | -1.66 | Aq. Sol... | |
| logPoct/wat | 0.182 | Crippen Calculated Property | |
| McVol | 113.800 | ml/mol | McGowan Calculated Property |
| Pc | 3886.79 | kPa | Joback Calculated Property |
| Inp | [1123.00; 1123.00] |
|
|
| Inp | 1123.00 | NIST | |
| Inp | 1123.00 | NIST | |
| Inp | 1123.00 | NIST | |
| Tboil | 639.00 | K | Joback Calculated Property |
| Tc | 874.34 | K | Joback Calculated Property |
| Tfus | 253.40 ± 0.10 | K | NIST |
| Vc | 0.454 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.08; 339.98] | J/mol×K | [639.00; 874.34] |
|
| Cp,gas | 292.08 | J/mol×K | 639.00 | Joback Calculated Property |
| Cp,gas | 301.65 | J/mol×K | 678.22 | Joback Calculated Property |
| Cp,gas | 310.61 | J/mol×K | 717.45 | Joback Calculated Property |
| Cp,gas | 318.93 | J/mol×K | 756.67 | Joback Calculated Property |
| Cp,gas | 326.61 | J/mol×K | 795.89 | Joback Calculated Property |
| Cp,gas | 333.63 | J/mol×K | 835.11 | Joback Calculated Property |
| Cp,gas | 339.98 | J/mol×K | 874.34 | Joback Calculated Property |
| ΔvapH | 71.40 ± 7.10 | kJ/mol | 303.00 | NIST |
Similar Compounds
Find more compounds similar to 1,3-Butanediol dinitrate.
Sources
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