- InChI
- InChI=1S/C10H9NO3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h4-6H,1-3H2
- InChI Key
- GWAQYWSNCVEJMW-UHFFFAOYSA-N
- Formula
- C10H9NO3
- SMILES
- O=C1CCCc2ccc([N+](=O)[O-])cc21
- Molecular Weight1
- 191.18
- CAS
- 40353-34-2
- Other Names
-
- 7-Nitro-1-tetralone
- 3,4-Dihydro-7-nitro-1(2H)-naphthalenone
- 3,4-dihydro-7-nitronaphthalen-1(2H)-one
- 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 | 0.6140 | Relay (1.0) Calculated Property | |
| ΔfG° | 95.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -110.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.114 | Crippen Calculated Property | |
| McVol | 136.130 | ml/mol | McGowan Calculated Property |
| Pc | 3708.97 | kPa | Joback Calculated Property |
| Inp | [314.16; 314.27] |
|
|
| Inp | 314.27 | NIST | |
| Inp | 314.27 | NIST | |
| Inp | 314.16 | NIST | |
| Tboil | 591.86 | K | Relay (1.0) Calculated Property |
| Tc | 871.90 | K | Relay (1.0) Calculated Property |
| Tfus | 393.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.480 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [362.00; 426.62] | J/mol×K | [700.18; 973.96] |
|
| Cp,gas | 362.00 | J/mol×K | 700.18 | Joback Calculated Property |
| Cp,gas | 375.56 | J/mol×K | 745.81 | Joback Calculated Property |
| Cp,gas | 387.94 | J/mol×K | 791.44 | Joback Calculated Property |
| Cp,gas | 399.19 | J/mol×K | 837.07 | Joback Calculated Property |
| Cp,gas | 409.35 | J/mol×K | 882.70 | Joback Calculated Property |
| Cp,gas | 418.48 | J/mol×K | 928.33 | Joback Calculated Property |
| Cp,gas | 426.62 | J/mol×K | 973.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1(2H)-Naphthalenone, 3,4-dihydro-7-nitro-.
Sources
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