- InChI
- InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)
- InChI Key
- ZKMNUMMKYBVTFN-UHFFFAOYSA-N
- Formula
- C17H26N2O
- SMILES
- CCCN1CCCCC1C(=O)Nc1c(C)cccc1C
- Molecular Weight1
- 274.40
- CAS
- 84057-95-4
- Other Names
-
- ((-))-1-Propyl-2',6'-pipecoloxylidide
- LEA-103
- 2-Piperidinecarboxamide, N-(2,6-dimethylphenyl)-1-propyl-, (2S)-
- N-(2,6-dimethylphenyl)-1-propyl-2-piperidinecarboxamide
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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 | 0.6641 | Relay (1.0) Calculated Property | |
| ΔfG° | 176.89 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -201.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 94.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.506 | Crippen Calculated Property | |
| McVol | 237.300 | ml/mol | McGowan Calculated Property |
| Pc | 1993.68 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 626.95 | K | Relay (1.0) Calculated Property |
| Tc | 882.31 | K | Relay (1.0) Calculated Property |
| Tfus | 397.71 | K | Relay (1.0) Calculated Property |
| Vc | 0.832 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 44.50 | kJ/mol | 414.20 | NIST |
Similar Compounds
Find more compounds similar to Ropivacaine.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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