- InChI
- InChI=1S/C5H10N2O6/c8-6(9)12-4-2-1-3-5-13-7(10)11/h1-5H2
- InChI Key
- MIYIEPHJPVBSEV-UHFFFAOYSA-N
- Formula
- C5H10N2O6
- SMILES
-
O=[N+]([O-])OCCCCCO[N+](=O)[O-
] - Molecular Weight1
- 194.14
- CAS
- 3457-92-9
- Other Names
-
- 5-nitrooxypentyl nitrate
- Pentamethylene dinitrate
- Pentamethylene nitrate
- ω : Acentric Factor.
- 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).
- 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 | 0.7642 | Relay (... Calculated Property | |
| ΔcH°liquid | -3035.00 | kJ/mol | NIST |
| ΔfG° | -147.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -273.95 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.75 | kJ/mol | Relay (... Calculated Property |
| IE | 10.95 | eV | Relay (... Calculated Property |
| log10WS | -2.19 | Aq. Sol... | |
| logPoct/wat | 0.573 | Crippen Calculated Property | |
| McVol | 127.890 | ml/mol | McGowan Calculated Property |
| Pc | 3427.87 | kPa | Joback Calculated Property |
| Inp | 1329.00 | NIST | |
| Tboil | 493.41 | K | Relay (... Calculated Property |
| Tc | 684.33 | K | Relay (... Calculated Property |
| Tfus | 256.60 ± 0.10 | K | NIST |
| Vc | 0.484 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [338.76; 390.29] | J/mol×K | [662.32; 888.40] | 
|
| Cp,gas | 338.76 | J/mol×K | 662.32 | Joback Calculated Property |
| Cp,gas | 349.00 | J/mol×K | 700.00 | Joback Calculated Property |
| Cp,gas | 358.58 | J/mol×K | 737.68 | Joback Calculated Property |
| Cp,gas | 367.51 | J/mol×K | 775.36 | Joback Calculated Property |
| Cp,gas | 375.78 | J/mol×K | 813.04 | Joback Calculated Property |
| Cp,gas | 383.37 | J/mol×K | 850.72 | Joback Calculated Property |
| Cp,gas | 390.29 | J/mol×K | 888.40 | Joback Calculated Property |
| ΔvapH | 78.90 ± 5.90 | kJ/mol | 303.00 | NIST |
Similar Compounds
Find more compounds similar to 1,5-Pentanediol, dinitrate.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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