- InChI
- InChI=1S/C4H6N2O7/c7-5(8)12-3-1-11-2-4(3)13-6(9)10/h3-4H,1-2H2/t3-,4+
- InChI Key
- NUPHETKTSSIAEZ-ZXZARUISSA-N
- Formula
- C4H6N2O7
- SMILES
-
O=[N+]([O-])OC1COCC1O[N+](=O)[
O-] - Molecular Weight1
- 194.10
- CAS
- 58690-45-2
- ω : Acentric Factor.
- ΔcH°solid : Standard solid 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°solid : Solid 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).
- 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).
- 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 | 0.6156 | Relay (... Calculated Property | |
| ΔcH°solid | -2025.50 ± 2.50 | kJ/mol | NIST |
| ΔfG° | -213.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -354.66 | kJ/mol | Relay (... Calculated Property |
| ΔfH°solid | -406.00 ± 2.50 | kJ/mol | NIST |
| ΔfusH° | 34.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.02 | kJ/mol | Relay (... Calculated Property |
| IE | 10.93 | eV | Relay (... Calculated Property |
| log10WS | -1.86 | Relay (... Calculated Property | |
| logPoct/wat | -0.830 | Crippen Calculated Property | |
| McVol | 108.810 | ml/mol | McGowan Calculated Property |
| Pc | 4602.62 | kPa | Joback Calculated Property |
| Tboil | 495.92 | K | Relay (... Calculated Property |
| Tc | 703.95 | K | Relay (... Calculated Property |
| Tfus | 294.85 | K | Relay (... Calculated Property |
| Vc | 0.403 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [306.80; 357.76] | J/mol×K | [677.00; 937.19] | 
|
| Cp,gas | 306.80 | J/mol×K | 677.00 | Joback Calculated Property |
| Cp,gas | 317.73 | J/mol×K | 720.36 | Joback Calculated Property |
| Cp,gas | 327.71 | J/mol×K | 763.73 | Joback Calculated Property |
| Cp,gas | 336.71 | J/mol×K | 807.09 | Joback Calculated Property |
| Cp,gas | 344.73 | J/mol×K | 850.46 | Joback Calculated Property |
| Cp,gas | 351.75 | J/mol×K | 893.82 | Joback Calculated Property |
| Cp,gas | 357.76 | J/mol×K | 937.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Oxolane-3,4-diol dinitrate.
Sources
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