- InChI
- InChI=1S/C8H17NO3/c1-3-5-7-8(6-4-2)12-9(10)11/h8H,3-7H2,1-2H3
- InChI Key
- KXDZDQGNGXHCGI-UHFFFAOYSA-N
- Formula
- C8H17NO3
- SMILES
- CCCCC(CCC)O[N+](=O)[O-]
- Molecular Weight1
- 175.23
- 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° | -55.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -356.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.02 | kJ/mol | Joback Calculated Property |
| log10WS | -3.44 | Crippen Calculated Property | |
| logPoct/wat | 2.554 | Crippen Calculated Property | |
| McVol | 146.870 | ml/mol | McGowan Calculated Property |
| Pc | 2543.05 | kPa | Joback Calculated Property |
| Inp | [1122.00; 1122.00] |
|
|
| Inp | 1122.00 | NIST | |
| Inp | 1122.00 | NIST | |
| Inp | 1122.00 | NIST | |
| Tboil | 556.26 | K | Joback Calculated Property |
| Tc | 754.99 | K | Joback Calculated Property |
| Tfus | 330.76 | K | Joback Calculated Property |
| Vc | 0.578 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [363.36; 436.50] | J/mol×K | [556.26; 754.99] |
|
| Cp,gas | 363.36 | J/mol×K | 556.26 | Joback Calculated Property |
| Cp,gas | 377.14 | J/mol×K | 589.38 | Joback Calculated Property |
| Cp,gas | 390.27 | J/mol×K | 622.50 | Joback Calculated Property |
| Cp,gas | 402.76 | J/mol×K | 655.63 | Joback Calculated Property |
| Cp,gas | 414.62 | J/mol×K | 688.75 | Joback Calculated Property |
| Cp,gas | 425.87 | J/mol×K | 721.87 | Joback Calculated Property |
| Cp,gas | 436.50 | J/mol×K | 754.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Octyl nitrate.
Sources
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