- InChI
- InChI=1S/C17H18N2O/c1-3-7-14(8-4-1)17(15-9-5-2-6-10-15)20-13-16-18-11-12-19-16/h1-10,17H,11-13H2,(H,18,19)
- InChI Key
- RTZMBWHMKICABA-UHFFFAOYSA-N
- Formula
- C17H18N2O
- SMILES
-
c1ccc(C(OCC2=NCCN2)c2ccccc2)cc
1 - Molecular Weight1
- 266.34
- CAS
- 6703-39-5
- Other Names
-
- Diphenazoline
- 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° | 478.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 177.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.50 | kJ/mol | Joback Calculated Property |
| log10WS | -3.54 | Crippen Calculated Property | |
| logPoct/wat | 2.794 | Crippen Calculated Property | |
| McVol | 213.540 | ml/mol | McGowan Calculated Property |
| Pc | 2665.27 | kPa | Joback Calculated Property |
| Inp | [2210.00; 2275.00] |
|
|
| Inp | 2210.00 | NIST | |
| Inp | 2275.00 | NIST | |
| Inp | 2210.00 | NIST | |
| Tboil | 790.04 | K | Joback Calculated Property |
| Tc | 1057.46 | K | Joback Calculated Property |
| Tfus | 546.41 | K | Joback Calculated Property |
| Vc | 0.797 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [636.94; 719.04] | J/mol×K | [790.04; 1057.46] |
|
| Cp,gas | 636.94 | J/mol×K | 790.04 | Joback Calculated Property |
| Cp,gas | 655.07 | J/mol×K | 834.61 | Joback Calculated Property |
| Cp,gas | 671.32 | J/mol×K | 879.18 | Joback Calculated Property |
| Cp,gas | 685.77 | J/mol×K | 923.75 | Joback Calculated Property |
| Cp,gas | 698.49 | J/mol×K | 968.32 | Joback Calculated Property |
| Cp,gas | 709.56 | J/mol×K | 1012.89 | Joback Calculated Property |
| Cp,gas | 719.04 | J/mol×K | 1057.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Imidazoline, 2-benzhydroxymethyl.
Sources
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