- InChI
- InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)
- InChI Key
- YLXDSYKOBKBWJQ-UHFFFAOYSA-N
- Formula
- C16H21NO2
- SMILES
- CCC(=O)NCCC1CCc2ccc3c(c21)CCO3
- Molecular Weight1
- 259.34
- CAS
- 196597-26-9
- Other Names
-
- Rozerem
- (S)-N-[2-(1,6,7,8-tetrahydro-2H-indeno-[5,4-b]furan-8-yl)ethyl]propionamide
- 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° | 170.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -196.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.30 | kJ/mol | Joback Calculated Property |
| log10WS | -3.97 | Crippen Calculated Property | |
| logPoct/wat | 2.568 | Crippen Calculated Property | |
| McVol | 208.240 | ml/mol | McGowan Calculated Property |
| Pc | 2250.40 | kPa | Joback Calculated Property |
| Inp | [2417.00; 2417.00] |
|
|
| Inp | 2417.00 | NIST | |
| Inp | 2417.00 | NIST | |
| Tboil | 756.24 | K | Joback Calculated Property |
| Tc | 977.95 | K | Joback Calculated Property |
| Tfus | 503.34 | K | Joback Calculated Property |
| Vc | 0.800 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [626.05; 708.44] | J/mol×K | [756.24; 977.95] |
|
| Cp,gas | 626.05 | J/mol×K | 756.24 | Joback Calculated Property |
| Cp,gas | 641.86 | J/mol×K | 793.19 | Joback Calculated Property |
| Cp,gas | 656.70 | J/mol×K | 830.14 | Joback Calculated Property |
| Cp,gas | 670.67 | J/mol×K | 867.09 | Joback Calculated Property |
| Cp,gas | 683.88 | J/mol×K | 904.05 | Joback Calculated Property |
| Cp,gas | 696.44 | J/mol×K | 941.00 | Joback Calculated Property |
| Cp,gas | 708.44 | J/mol×K | 977.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ramelteon.
Sources
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