- InChI
- InChI=1S/C7H13NO3/c9-8(10)11-7-5-3-1-2-4-6-7/h7H,1-6H2
- InChI Key
- CAMHIRXNJVJKPY-UHFFFAOYSA-N
- Formula
- C7H13NO3
- SMILES
- O=[N+]([O-])OC1CCCCCC1
- Molecular Weight1
- 159.18
- 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° | -49.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -282.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.78 | kJ/mol | Joback Calculated Property |
| log10WS | -2.92 | Crippen Calculated Property | |
| logPoct/wat | 1.917 | Crippen Calculated Property | |
| McVol | 121.920 | ml/mol | McGowan Calculated Property |
| Pc | 3607.21 | kPa | Joback Calculated Property |
| Inp | [1173.00; 1173.00] |
|
|
| Inp | 1173.00 | NIST | |
| Inp | 1173.00 | NIST | |
| Tboil | 557.64 | K | Joback Calculated Property |
| Tc | 803.00 | K | Joback Calculated Property |
| Tfus | 338.35 | K | Joback Calculated Property |
| Vc | 0.453 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.92; 390.42] | J/mol×K | [557.64; 803.00] |
|
| Cp,gas | 303.92 | J/mol×K | 557.64 | Joback Calculated Property |
| Cp,gas | 321.06 | J/mol×K | 598.53 | Joback Calculated Property |
| Cp,gas | 337.10 | J/mol×K | 639.43 | Joback Calculated Property |
| Cp,gas | 352.06 | J/mol×K | 680.32 | Joback Calculated Property |
| Cp,gas | 365.92 | J/mol×K | 721.21 | Joback Calculated Property |
| Cp,gas | 378.71 | J/mol×K | 762.11 | Joback Calculated Property |
| Cp,gas | 390.42 | J/mol×K | 803.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cycloheptyl nitrate.
Sources
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