- InChI
- InChI=1S/C14H20N2O/c1-10(2)12-5-4-11(3)8-13(12)17-9-14-15-6-7-16-14/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,16)
- InChI Key
- QRORCRWSRPKEHR-UHFFFAOYSA-N
- Formula
- C14H20N2O
- SMILES
- Cc1ccc(C(C)C)c(OCC2=NCCN2)c1
- Molecular Weight1
- 232.32
- 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 | 0.6278 | Relay (1.0) Calculated Property | |
| ΔfG° | 321.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -84.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.499 | Crippen Calculated Property | |
| McVol | 195.030 | ml/mol | McGowan Calculated Property |
| Pc | 2475.19 | kPa | Joback Calculated Property |
| Inp | [1850.00; 1850.00] |
|
|
| Inp | 1850.00 | NIST | |
| Inp | 1850.00 | NIST | |
| Tboil | 601.40 | K | Relay (1.0) Calculated Property |
| Tc | 844.37 | K | Relay (1.0) Calculated Property |
| Tfus | 371.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.708 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [557.17; 649.42] | J/mol×K | [704.68; 943.74] |
|
| Cp,gas | 557.17 | J/mol×K | 704.68 | Joback Calculated Property |
| Cp,gas | 575.92 | J/mol×K | 744.52 | Joback Calculated Property |
| Cp,gas | 593.30 | J/mol×K | 784.37 | Joback Calculated Property |
| Cp,gas | 609.34 | J/mol×K | 824.21 | Joback Calculated Property |
| Cp,gas | 624.03 | J/mol×K | 864.05 | Joback Calculated Property |
| Cp,gas | 637.38 | J/mol×K | 903.90 | Joback Calculated Property |
| Cp,gas | 649.42 | J/mol×K | 943.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tymazoline.
Sources
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