![1,3-Propanediol, 2-methyl-2-[(nitrooxy)methyl]-, dinitrate (ester)](/cid/107-965-2/1-3-Propanediol-2-methyl-2-nitrooxy-methyl-dinitrate-ester.png "1,3-Propanediol, 2-methyl-2-[(nitrooxy)methyl]-, dinitrate (ester)")
- InChI
- InChI=1S/C5H9N3O9/c1-5(2-15-6(9)10,3-16-7(11)12)4-17-8(13)14/h2-4H2,1H3
- InChI Key
- IPPYBNCEPZCLNI-UHFFFAOYSA-N
- Formula
- C5H9N3O9
- SMILES
-
CC(CO[N+](=O)[O-])(CO[N+](=O)[
O-])CO[N+](=O)[O-] - Molecular Weight1
- 255.14
- CAS
- 3032-55-1
- Other Names
-
- 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, trinitrate
- Metriol trinitrate
- Trimethylolethane trinitrate
- Tris(hydroxymethyl)ethane trinitrate
- TMETN
- 1,1,1-Trimethylolethane trinitrate
- 2-Methyl-2-hydroxymethyl-1,3-propanediol trinitrate
- 2-Methyl-2-nitro-oxymethyltrimethylene dinitrate
- 1,3-Propanediol, 2-methyl-2-[(nitrooxy)methyl]-, dinitrate
- 2-Methyl-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate
- 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°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).
- 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 | -2811.00 | kJ/mol | NIST |
| ΔfG° | -214.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -584.22 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -450.20 | kJ/mol | NIST |
| ΔfusH° | 38.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.20 ± 0.10 | kJ/mol | NIST |
| log10WS | -2.16 | Crippen Calculated Property | |
| logPoct/wat | -0.382 | Crippen Calculated Property | |
| McVol | 151.180 | ml/mol | McGowan Calculated Property |
| Pc | 3484.76 | kPa | Joback Calculated Property |
| Inp | [1529.00; 1529.00] |
|
|
| Inp | 1529.00 | NIST | |
| Inp | 1529.00 | NIST | |
| Tboil | 833.35 | K | Joback Calculated Property |
| Tc | 1086.71 | K | Joback Calculated Property |
| Tfus | 646.05 | K | Joback Calculated Property |
| Vc | 0.605 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [446.14; 480.78] | J/mol×K | [833.35; 1086.71] |
|
| Cp,gas | 446.14 | J/mol×K | 833.35 | Joback Calculated Property |
| Cp,gas | 454.41 | J/mol×K | 875.58 | Joback Calculated Property |
| Cp,gas | 461.67 | J/mol×K | 917.80 | Joback Calculated Property |
| Cp,gas | 467.93 | J/mol×K | 960.03 | Joback Calculated Property |
| Cp,gas | 473.20 | J/mol×K | 1002.26 | Joback Calculated Property |
| Cp,gas | 477.48 | J/mol×K | 1044.49 | Joback Calculated Property |
| Cp,gas | 480.78 | J/mol×K | 1086.71 | Joback Calculated Property |
| ΔvapH | 88.10 | kJ/mol | 322.00 | NIST |
Similar Compounds
Find more compounds similar to 1,3-Propanediol, 2-methyl-2-[(nitrooxy)methyl]-, dinitrate (ester).
Sources
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