- InChI
- InChI=1S/C12H12F3NO/c13-12(14,15)11(17)16-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2,(H,16,17)
- InChI Key
- CCTAJRYHHDWLPA-UHFFFAOYSA-N
- Formula
- C12H12F3NO
- SMILES
- O=C(Nc1cccc2c1CCCC2)C(F)(F)F
- Molecular Weight1
- 243.22
- Other Names
-
- 5-Amino-1,2,3,4-tetrahydronaphthalene, TFA
- 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 | 0.5215 | Relay (... Calculated Property | |
| ΔfG° | -421.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -768.92 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.95 | kJ/mol | Relay (... Calculated Property |
| IE | 8.67 | eV | Relay (... Calculated Property |
| log10WS | -3.19 | Relay (... Calculated Property | |
| logPoct/wat | 3.066 | Crippen Calculated Property | |
| McVol | 162.180 | ml/mol | McGowan Calculated Property |
| Pc | 2709.85 | kPa | Joback Calculated Property |
| Inp | [272.80; 272.80] |
|
|
| Inp | 272.80 | NIST | |
| Inp | 272.80 | NIST | |
| Tboil | 557.70 | K | Relay (... Calculated Property |
| Tc | 772.80 | K | Relay (... Calculated Property |
| Tfus | 375.84 | K | Relay (... Calculated Property |
| Vc | 0.574 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [431.20; 501.23] | J/mol×K | [624.90; 838.51] |
|
| Cp,gas | 431.20 | J/mol×K | 624.90 | Joback Calculated Property |
| Cp,gas | 445.28 | J/mol×K | 660.50 | Joback Calculated Property |
| Cp,gas | 458.29 | J/mol×K | 696.10 | Joback Calculated Property |
| Cp,gas | 470.31 | J/mol×K | 731.71 | Joback Calculated Property |
| Cp,gas | 481.42 | J/mol×K | 767.31 | Joback Calculated Property |
| Cp,gas | 491.70 | J/mol×K | 802.91 | Joback Calculated Property |
| Cp,gas | 501.23 | J/mol×K | 838.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Amino-5,6,7,8-tetrahydronaphthalene, TFA.
Sources
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