- InChI
- InChI=1S/C14H21NO3/c1-3-5-6-8-11(4-2)12-9-7-10-13(14(12)16)15(17)18/h7,9-11,16H,3-6,8H2,1-2H3
- InChI Key
- AQDFJRAWRNKQRE-UHFFFAOYSA-N
- Formula
- C14H21NO3
- SMILES
-
CCCCCC(CC)c1cccc([N+](=O)[O-])
c1O - Molecular Weight1
- 251.32
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8214 | Relay (... Calculated Property | |
| ΔfG° | 48.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -290.52 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 39.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.92 | kJ/mol | Relay (... Calculated Property |
| IE | 8.52 | eV | Relay (... Calculated Property |
| log10WS | -5.00 | Relay (... Calculated Property | |
| logPoct/wat | 4.374 | Crippen Calculated Property | |
| McVol | 207.650 | ml/mol | McGowan Calculated Property |
| Pc | 2318.07 | kPa | Joback Calculated Property |
| Inp | [1774.00; 1774.00] |
|
|
| Inp | 1774.00 | NIST | |
| Inp | 1774.00 | NIST | |
| Tboil | 575.20 | K | Relay (... Calculated Property |
| Tc | 853.35 | K | Relay (... Calculated Property |
| Tfus | 301.25 | K | Relay (... Calculated Property |
| Vc | 0.713 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [615.59; 693.07] | J/mol×K | [783.40; 1012.85] |
|
| Cp,gas | 615.59 | J/mol×K | 783.40 | Joback Calculated Property |
| Cp,gas | 630.20 | J/mol×K | 821.64 | Joback Calculated Property |
| Cp,gas | 644.00 | J/mol×K | 859.88 | Joback Calculated Property |
| Cp,gas | 657.08 | J/mol×K | 898.13 | Joback Calculated Property |
| Cp,gas | 669.55 | J/mol×K | 936.37 | Joback Calculated Property |
| Cp,gas | 681.51 | J/mol×K | 974.61 | Joback Calculated Property |
| Cp,gas | 693.07 | J/mol×K | 1012.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2-(1-ethylhexyl)-6-nitro.
Sources
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