- InChI
- InChI=1S/C9H11NO2/c1-2-5-8-6-3-4-7-9(8)10(11)12/h3-4,6-7H,2,5H2,1H3
- InChI Key
- UGAXDAGIKIVCQB-UHFFFAOYSA-N
- Formula
- C9H11NO2
- SMILES
- CCCc1ccccc1[N+](=O)[O-]
- Molecular Weight1
- 165.19
- CAS
- 7137-54-4
- Other Names
-
- Benzene, 1-nitro-2-propyl-
- o-Propylnitrobenzene
- o-Nitropropylbenzene
- 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).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5374 | Relay (1.0) Calculated Property | |
| ΔfG° | 163.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.547 | Crippen Calculated Property | |
| McVol | 131.330 | ml/mol | McGowan Calculated Property |
| Pc | 3250.43 | kPa | Joback Calculated Property |
| I | 1969.00 | NIST | |
| Tboil | 530.80 | K | Relay (1.0) Calculated Property |
| Tc | 758.21 | K | Relay (1.0) Calculated Property |
| Tfus | 269.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.461 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [310.78; 376.94] | J/mol×K | [588.82; 828.33] | 
|
| Cp,gas | 310.78 | J/mol×K | 588.82 | Joback Calculated Property |
| Cp,gas | 323.96 | J/mol×K | 628.74 | Joback Calculated Property |
| Cp,gas | 336.22 | J/mol×K | 668.66 | Joback Calculated Property |
| Cp,gas | 347.61 | J/mol×K | 708.57 | Joback Calculated Property |
| Cp,gas | 358.16 | J/mol×K | 748.49 | Joback Calculated Property |
| Cp,gas | 367.92 | J/mol×K | 788.41 | Joback Calculated Property |
| Cp,gas | 376.94 | J/mol×K | 828.33 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 407.70 | K | 3.50 | NIST |
Similar Compounds
Find more compounds similar to 1-Nitro-2-propylbenzene.
Sources
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