- InChI
- InChI=1S/C4H8N2O6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2
- InChI Key
- QELUAJBXJAWSRC-UHFFFAOYSA-N
- Formula
- C4H8N2O6
- SMILES
- O=[N+]([O-])OCCCCO[N+](=O)[O-]
- Molecular Weight1
- 180.12
- CAS
- 3457-91-8
- Other Names
-
- 1,4-Butylene glycol dinitrate
- 4-nitrooxybutyl nitrate
- Tetramethylene dinitrate
- Tetramethylene 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).
- ΔfH°liquid : Liquid phase 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 | -2387.00 | kJ/mol | NIST |
| ΔfG° | -156.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -411.85 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | [-331.00; -274.00] | kJ/mol |
|
| ΔfH°liquid | -274.00 | kJ/mol | NIST |
| ΔfH°liquid | -331.00 | kJ/mol | NIST |
| ΔfusH° | 31.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.50 | kJ/mol | Joback Calculated Property |
| log10WS | -1.68 | Aq. Sol... | |
| logPoct/wat | 0.183 | Crippen Calculated Property | |
| McVol | 113.800 | ml/mol | McGowan Calculated Property |
| Pc | 3848.31 | kPa | Joback Calculated Property |
| Inp | [1213.00; 1213.00] |
|
|
| Inp | 1213.00 | NIST | |
| Inp | 1213.00 | NIST | |
| Tboil | 639.44 | K | Joback Calculated Property |
| Tc | 869.91 | K | Joback Calculated Property |
| Tfus | 285.00 ± 0.10 | K | NIST |
| Vc | 0.460 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [291.53; 338.58] | J/mol×K | [639.44; 869.91] |
|
| Cp,gas | 291.53 | J/mol×K | 639.44 | Joback Calculated Property |
| Cp,gas | 300.86 | J/mol×K | 677.85 | Joback Calculated Property |
| Cp,gas | 309.61 | J/mol×K | 716.26 | Joback Calculated Property |
| Cp,gas | 317.77 | J/mol×K | 754.67 | Joback Calculated Property |
| Cp,gas | 325.33 | J/mol×K | 793.08 | Joback Calculated Property |
| Cp,gas | 332.27 | J/mol×K | 831.50 | Joback Calculated Property |
| Cp,gas | 338.58 | J/mol×K | 869.91 | Joback Calculated Property |
| ΔvapH | 57.40 ± 0.80 | kJ/mol | 303.00 | NIST |
Similar Compounds
Find more compounds similar to 1,4-Butanediol, dinitrate.
Sources
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