- InChI
- InChI=1S/C19H27NO3/c1-20-13-11-17(12-14-20)23-18(21)19(22,16-9-5-6-10-16)15-7-3-2-4-8-15/h2-4,7-8,16-17,22H,5-6,9-14H2,1H3
- InChI Key
- DZFJGXMHIMAYMW-UHFFFAOYSA-N
- Formula
- C19H27NO3
- SMILES
-
CN1CCC(OC(=O)C(O)(c2ccccc2)C2C
CCC2)CC1 - Molecular Weight1
- 317.42
- CAS
- 37830-21-0
- Other Names
-
- Benzeneacetic acid, «alpha»-cyclopentyl-«alpha»-hydroxy-, 1-methyl-4-piperidinyl ester
- EA 3443
- N-Methyl-4-piperidyl cyclopentylphenylglycolate
- 1-Methyl-4-piperidyl cyclopentylphenylglycolate
- Benzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-, 1-methyl-4-piperidinyl 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 | 0.7943 | Relay (1.0) Calculated Property | |
| ΔfG° | -99.87 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -514.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 102.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.702 | Crippen Calculated Property | |
| McVol | 256.380 | ml/mol | McGowan Calculated Property |
| Pc | 1444.51 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2310.00 | NIST | |
| Tboil | 646.19 | K | Relay (1.0) Calculated Property |
| Tc | 921.04 | K | Relay (1.0) Calculated Property |
| Tfus | 389.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.928 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Mandelic acid, «alpha»-cyclopentyl-, 1-methyl-4-piperidyl ester.
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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