- InChI
- InChI=1S/C17H28N2O2/c1-4-7-12-18-16-10-8-15(9-11-16)17(20)21-14-13-19(5-2)6-3/h8-11,18H,4-7,12-14H2,1-3H3
- InChI Key
- JQMCLLAJJLVYOC-UHFFFAOYSA-N
- Formula
- C17H28N2O2
- SMILES
- CCCCNc1ccc(C(=O)OCCN(CC)CC)cc1
- Molecular Weight1
- 292.42
- CAS
- 3772-42-7
- 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° | 161.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -292.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.01 | kJ/mol | Joback Calculated Property |
| log10WS | -3.64 | Crippen Calculated Property | |
| logPoct/wat | 3.397 | Crippen Calculated Property | |
| McVol | 254.030 | ml/mol | McGowan Calculated Property |
| Pc | 1629.85 | kPa | Joback Calculated Property |
| Inp | [2350.00; 2375.00] |
|
|
| Inp | 2350.00 | NIST | |
| Inp | 2375.00 | NIST | |
| Tboil | 758.92 | K | Joback Calculated Property |
| Tc | 953.78 | K | Joback Calculated Property |
| Tfus | 477.58 | K | Joback Calculated Property |
| Vc | 0.957 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [755.37; 841.50] | J/mol×K | [758.92; 953.78] |
|
| Cp,gas | 755.37 | J/mol×K | 758.92 | Joback Calculated Property |
| Cp,gas | 772.13 | J/mol×K | 791.40 | Joback Calculated Property |
| Cp,gas | 787.88 | J/mol×K | 823.87 | Joback Calculated Property |
| Cp,gas | 802.66 | J/mol×K | 856.35 | Joback Calculated Property |
| Cp,gas | 816.50 | J/mol×K | 888.83 | Joback Calculated Property |
| Cp,gas | 829.43 | J/mol×K | 921.31 | Joback Calculated Property |
| Cp,gas | 841.50 | J/mol×K | 953.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to farmocaine.
Sources
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