- InChI
- InChI=1S/C10H11NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2
- InChI Key
- VXZHOWCMXKLZNY-UHFFFAOYSA-N
- Formula
- C10H11NO2
- SMILES
- O=[N+]([O-])c1cccc2c1CCCC2
- Molecular Weight1
- 177.20
- CAS
- 29809-14-1
- Other Names
-
- 5-Nitro-1,2,3,4-tetrahydronaphthalene
- 1,2,3,4-tetrahydro-5-nitronaphthalene
- 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° | 218.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 40.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.44 | kJ/mol | Joback Calculated Property |
| log10WS | -3.62 | Crippen Calculated Property | |
| logPoct/wat | 2.474 | Crippen Calculated Property | |
| McVol | 134.560 | ml/mol | McGowan Calculated Property |
| Pc | 3555.77 | kPa | Joback Calculated Property |
| Inp | [262.41; 270.98] |
|
|
| Inp | 270.98 | NIST | |
| Inp | 270.98 | NIST | |
| Inp | 270.61 | NIST | |
| Inp | Outlier 262.41 | NIST | |
| Inp | 270.64 | NIST | |
| Inp | 268.52 | NIST | |
| Tboil | 632.36 | K | Joback Calculated Property |
| Tc | 894.37 | K | Joback Calculated Property |
| Tfus | 416.19 | K | Joback Calculated Property |
| Vc | 0.519 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [340.54; 411.54] | J/mol×K | [632.36; 894.37] |
|
| Cp,gas | 340.54 | J/mol×K | 632.36 | Joback Calculated Property |
| Cp,gas | 355.07 | J/mol×K | 676.03 | Joback Calculated Property |
| Cp,gas | 368.38 | J/mol×K | 719.70 | Joback Calculated Property |
| Cp,gas | 380.59 | J/mol×K | 763.36 | Joback Calculated Property |
| Cp,gas | 391.78 | J/mol×K | 807.03 | Joback Calculated Property |
| Cp,gas | 402.06 | J/mol×K | 850.70 | Joback Calculated Property |
| Cp,gas | 411.54 | J/mol×K | 894.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Naphthalene, 1,2,3,4-tetrahydro-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.