- InChI
- InChI=1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3
- InChI Key
- DKLKMKYDWHYZTD-UHFFFAOYSA-N
- Formula
- C16H23NO2
- SMILES
- CC(CNC1CCCCC1)OC(=O)c1ccccc1
- Molecular Weight1
- 261.36
- CAS
- 532-77-4
- Other Names
-
- Cyclaine
- 1-(Cyclohexylamino)-2-propanol benzoate (ester)
- 2-Propanol, 1-(cyclohexylamino)-, benzoate (ester)
- 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° | 73.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -279.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.12 | kJ/mol | Joback Calculated Property |
| log10WS | -4.37 | Crippen Calculated Property | |
| logPoct/wat | 3.154 | Crippen Calculated Property | |
| McVol | 219.100 | ml/mol | McGowan Calculated Property |
| Pc | 2161.32 | kPa | Joback Calculated Property |
| Inp | [1965.00; 1965.00] |
|
|
| Inp | 1965.00 | NIST | |
| Inp | 1965.00 | NIST | |
| Tboil | 737.73 | K | Joback Calculated Property |
| Tc | 966.49 | K | Joback Calculated Property |
| Tfus | 413.70 | K | Joback Calculated Property |
| Vc | 0.809 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [653.13; 746.53] | J/mol×K | [737.73; 966.49] |
|
| Cp,gas | 653.13 | J/mol×K | 737.73 | Joback Calculated Property |
| Cp,gas | 672.20 | J/mol×K | 775.86 | Joback Calculated Property |
| Cp,gas | 689.80 | J/mol×K | 813.98 | Joback Calculated Property |
| Cp,gas | 705.98 | J/mol×K | 852.11 | Joback Calculated Property |
| Cp,gas | 720.80 | J/mol×K | 890.24 | Joback Calculated Property |
| Cp,gas | 734.29 | J/mol×K | 928.37 | Joback Calculated Property |
| Cp,gas | 746.53 | J/mol×K | 966.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexylcaine.
Sources
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