- InChI
- InChI=1S/C8H17NO3/c1-4-6-7(3)8(5-2)12-9(10)11/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
- InChI Key
- GIQRQCALXYZGQY-YUMQZZPRSA-N
- Formula
- C8H17NO3
- SMILES
- CCCC(C)C(CC)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° | -57.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -361.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.63 | kJ/mol | Joback Calculated Property |
| log10WS | -3.20 | Crippen Calculated Property | |
| logPoct/wat | 2.410 | Crippen Calculated Property | |
| McVol | 146.870 | ml/mol | McGowan Calculated Property |
| Pc | 2563.69 | kPa | Joback Calculated Property |
| Inp | [1096.00; 1096.00] |
|
|
| Inp | 1096.00 | NIST | |
| Inp | 1096.00 | NIST | |
| Tboil | 555.82 | K | Joback Calculated Property |
| Tc | 758.71 | K | Joback Calculated Property |
| Tfus | 315.76 | K | Joback Calculated Property |
| Vc | 0.572 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [363.71; 438.40] | J/mol×K | [555.82; 758.71] |
|
| Cp,gas | 363.71 | J/mol×K | 555.82 | Joback Calculated Property |
| Cp,gas | 377.84 | J/mol×K | 589.63 | Joback Calculated Property |
| Cp,gas | 391.28 | J/mol×K | 623.45 | Joback Calculated Property |
| Cp,gas | 404.05 | J/mol×K | 657.26 | Joback Calculated Property |
| Cp,gas | 416.15 | J/mol×K | 691.08 | Joback Calculated Property |
| Cp,gas | 427.60 | J/mol×K | 724.89 | Joback Calculated Property |
| Cp,gas | 438.40 | J/mol×K | 758.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-3-heptyl nitrate, diastereomer # 2.
Sources
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