- InChI
- InChI=1S/C5H10N2O6/c1-4(12-6(8)9)3-5(2)13-7(10)11/h4-5H,3H2,1-2H3
- InChI Key
- XVWLQUXGMQFTPO-UHFFFAOYSA-N
- Formula
- C5H10N2O6
- SMILES
-
CC(CC(C)O[N+](=O)[O-])O[N+](=O
)[O-] - Molecular Weight1
- 194.14
- CAS
- 25385-63-1
- Other Names
-
- 2,4-Pentanediol dinitrate
- 4-nitrooxypentan-2-yl nitrate
- 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).
- 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° | -152.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -443.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.95 | kJ/mol | Joback Calculated Property |
| log10WS | -2.22 | Aq. Sol... | |
| logPoct/wat | 0.570 | Crippen Calculated Property | |
| McVol | 127.890 | ml/mol | McGowan Calculated Property |
| Pc | 3493.01 | kPa | Joback Calculated Property |
| Tboil | 661.44 | K | Joback Calculated Property |
| Tc | 896.86 | K | Joback Calculated Property |
| Tfus | 254.70 ± 0.10 | K | NIST |
| Vc | 0.503 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [339.89; 393.14] | J/mol×K | [661.44; 896.86] | 
|
| Cp,gas | 339.89 | J/mol×K | 661.44 | Joback Calculated Property |
| Cp,gas | 350.62 | J/mol×K | 700.68 | Joback Calculated Property |
| Cp,gas | 360.62 | J/mol×K | 739.91 | Joback Calculated Property |
| Cp,gas | 369.87 | J/mol×K | 779.15 | Joback Calculated Property |
| Cp,gas | 378.39 | J/mol×K | 818.39 | Joback Calculated Property |
| Cp,gas | 386.14 | J/mol×K | 857.62 | Joback Calculated Property |
| Cp,gas | 393.14 | J/mol×K | 896.86 | Joback Calculated Property |
| ΔvapH | 60.60 ± 5.90 | kJ/mol | 303.00 | NIST |
Similar Compounds
Find more compounds similar to 1,4-pentanediol, dinitrate.
Sources
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