- InChI
- InChI=1S/C21H31NO4/c1-2-25-20(23)21(18-7-4-3-5-8-18)10-12-22(13-11-21)14-16-24-17-19-9-6-15-26-19/h3-5,7-8,19H,2,6,9-17H2,1H3
- InChI Key
- NNCOZXNZFLUYGG-UHFFFAOYSA-N
- Formula
- C21H31NO4
- SMILES
-
CCOC(=O)C1(c2ccccc2)CCN(CCOCC2
CCCO2)CC1 - Molecular Weight1
- 361.48
- CAS
- 2385-81-1
- Other Names
-
- 4-Piperidinecarboxylic acid, 4-phenyl-1-[2-[(tetrahydro-2-furanyl)methoxy]ethyl]-, ethyl ester
- Isonipecotic acid, 4-phenyl-1-[2-[(tetrahydrofurfuryl)oxy]ethyl]-, ethyl ester
- Ethyl 4-phenyl-1-[2-[(tetrahydrofurfuryl)oxy]ethyl]isonipecotate
- Ethyl 4-phenyl-1-(2-tetrahydrofurfuryloxyethyl)piperidine-4-carboxylate
- 1-(2-Tetrahydrofurfuryloxyethyl)-4-phenylpiperidine-4-carboxylic acid ethyl ester
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (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).
- 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 |
|---|---|---|---|
| ω | 0.7419 | Relay (... Calculated Property | |
| ΔfG° | -97.60 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -604.92 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 110.69 | kJ/mol | Relay (... Calculated Property |
| IE | 8.19 | eV | Relay (... Calculated Property |
| log10WS | -2.33 | Relay (... Calculated Property | |
| logPoct/wat | 2.779 | Crippen Calculated Property | |
| McVol | 290.430 | ml/mol | McGowan Calculated Property |
| Pc | 1170.05 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | 2637.00 | NIST | |
| Tboil | 690.67 | K | Relay (... Calculated Property |
| Tc | 916.51 | K | Relay (... Calculated Property |
| Tfus | 389.97 | K | Relay (... Calculated Property |
| Vc | 1.064 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Furethidine.
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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