- InChI
- InChI=1S/C9H9NO2/c11-10(12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2
- InChI Key
- DLURUQQMVLOLCP-UHFFFAOYSA-N
- Formula
- C9H9NO2
- SMILES
- O=[N+]([O-])c1ccc2c(c1)CCC2
- Molecular Weight1
- 163.17
- CAS
- 7436-07-9
- Other Names
-
- Indan, 5-nitro-
- «beta»-Nitroindan
- 5-Nitroindan
- 5-Nitroindane
- 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 | 0.5371 | Relay (1.0) Calculated Property | |
| ΔfG° | 222.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 33.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.083 | Crippen Calculated Property | |
| McVol | 120.470 | ml/mol | McGowan Calculated Property |
| Pc | 3877.12 | kPa | Joback Calculated Property |
| Inp | [251.36; 261.65] |
|
|
| Inp | 261.38 | NIST | |
| Inp | 261.18 | NIST | |
| Inp | Outlier 251.36 | NIST | |
| Inp | 261.65 | NIST | |
| Inp | 258.41 | NIST | |
| Inp | 261.55 | NIST | |
| Inp | 261.00 | NIST | |
| Inp | 261.00 | NIST | |
| Inp | 261.38 | NIST | |
| Inp | 261.55 | NIST | |
| Tboil | 552.68 | K | Relay (1.0) Calculated Property |
| Tc | 819.41 | K | Relay (1.0) Calculated Property |
| Tfus | 326.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.435 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.12; 354.89] | J/mol×K | [605.21; 864.19] |
|
| Cp,gas | 292.12 | J/mol×K | 605.21 | Joback Calculated Property |
| Cp,gas | 304.94 | J/mol×K | 648.37 | Joback Calculated Property |
| Cp,gas | 316.68 | J/mol×K | 691.54 | Joback Calculated Property |
| Cp,gas | 327.44 | J/mol×K | 734.70 | Joback Calculated Property |
| Cp,gas | 337.32 | J/mol×K | 777.86 | Joback Calculated Property |
| Cp,gas | 346.44 | J/mol×K | 821.03 | Joback Calculated Property |
| Cp,gas | 354.89 | J/mol×K | 864.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1H-Indene, 2,3-dihydro-5-nitro-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.