- InChI
- InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)
- InChI Key
- BYJAVTDNIXVSPW-UHFFFAOYSA-N
- Formula
- C13H16N2
- SMILES
- c1ccc2c(c1)CCCC2C1=NCCN1
- Molecular Weight1
- 200.28
- CAS
- 84-22-0
- Other Names
-
- 1H-Imidazole, 4,5-dihydro-2-(1,2,3,4-tetrahydro-1-naphthalenyl)-
- 2-Imidazoline, 2-(1,2,3,4-tetrahydro-1-naphthyl)-
- Tetryzolin
- Tetryzoline
- Tyzanol
- 2-(1,2,3,4-Tetrahydro-1-naphthyl)-2-imidazoline
- 2-(1,2,3,4-Tetrahydro-1-naphthalenyl)-4,5-dihydro-1H-imidazole
- 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 | 0.4680 | Relay (... Calculated Property | |
| ΔfG° | 479.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 147.90 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.73 | kJ/mol | Relay (... Calculated Property |
| IE | 8.33 | eV | NIST |
| log10WS | -2.62 | Relay (... Calculated Property | |
| logPoct/wat | 2.108 | Crippen Calculated Property | |
| McVol | 164.210 | ml/mol | McGowan Calculated Property |
| Pc | 3322.01 | kPa | Joback Calculated Property |
| Inp | [1833.00; 1833.00] |
|
|
| Inp | 1833.00 | NIST | |
| Inp | 1833.00 | NIST | |
| Tboil | 609.53 | K | Relay (... Calculated Property |
| Tc | 888.83 | K | Relay (... Calculated Property |
| Tfus | 368.66 | K | Relay (... Calculated Property |
| Vc | 0.588 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [463.76; 561.99] | J/mol×K | [665.85; 934.64] |
|
| Cp,gas | 463.76 | J/mol×K | 665.85 | Joback Calculated Property |
| Cp,gas | 484.18 | J/mol×K | 710.65 | Joback Calculated Property |
| Cp,gas | 502.86 | J/mol×K | 755.45 | Joback Calculated Property |
| Cp,gas | 519.89 | J/mol×K | 800.25 | Joback Calculated Property |
| Cp,gas | 535.37 | J/mol×K | 845.04 | Joback Calculated Property |
| Cp,gas | 549.37 | J/mol×K | 889.84 | Joback Calculated Property |
| Cp,gas | 561.99 | J/mol×K | 934.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tetrahydrozoline.
Sources
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