- InChI
- InChI=1S/C9H19NO3/c1-5-6-9(4,7-8(2)3)13-10(11)12/h8H,5-7H2,1-4H3
- InChI Key
- GJFSGBJZEYDMKR-UHFFFAOYSA-N
- Formula
- C9H19NO3
- SMILES
- CCCC(C)(CC(C)C)O[N+](=O)[O-]
- Molecular Weight1
- 189.25
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -44.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -386.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.94 | kJ/mol | Joback Calculated Property |
| log10WS | -3.62 | Crippen Calculated Property | |
| logPoct/wat | 2.800 | Crippen Calculated Property | |
| McVol | 160.960 | ml/mol | McGowan Calculated Property |
| Pc | 2356.49 | kPa | Joback Calculated Property |
| Inp | 1119.00 | NIST | |
| Tboil | 575.91 | K | Joback Calculated Property |
| Tc | 783.42 | K | Joback Calculated Property |
| Tfus | 344.45 | K | Joback Calculated Property |
| Vc | 0.623 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [414.40; 494.24] | J/mol×K | [575.91; 783.42] | 
|
| Cp,gas | 414.40 | J/mol×K | 575.91 | Joback Calculated Property |
| Cp,gas | 429.79 | J/mol×K | 610.49 | Joback Calculated Property |
| Cp,gas | 444.30 | J/mol×K | 645.08 | Joback Calculated Property |
| Cp,gas | 457.97 | J/mol×K | 679.66 | Joback Calculated Property |
| Cp,gas | 470.82 | J/mol×K | 714.25 | Joback Calculated Property |
| Cp,gas | 482.91 | J/mol×K | 748.83 | Joback Calculated Property |
| Cp,gas | 494.24 | J/mol×K | 783.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dimethyl-4-heptyl nitrate.
Sources
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