- InChI
- InChI=1S/C20H25NO3/c1-3-4-5-8-14-24-19(22)15-21(2)20(23)18-13-9-11-16-10-6-7-12-17(16)18/h6-7,9-13H,3-5,8,14-15H2,1-2H3
- InChI Key
- UCNDLDGNSONEBQ-UHFFFAOYSA-N
- Formula
- C20H25NO3
- SMILES
-
CCCCCCOC(=O)CN(C)C(=O)c1cccc2c
cccc12 - Molecular Weight1
- 327.42
- 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° | 74.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.64 | kJ/mol | Joback Calculated Property |
| log10WS | -5.21 | Crippen Calculated Property | |
| logPoct/wat | 4.035 | Crippen Calculated Property | |
| McVol | 268.430 | ml/mol | McGowan Calculated Property |
| Pc | 1639.10 | kPa | Joback Calculated Property |
| Inp | [2721.00; 2721.00] |
|
|
| Inp | 2721.00 | NIST | |
| Inp | 2721.00 | NIST | |
| Tboil | 850.24 | K | Joback Calculated Property |
| Tc | 1063.24 | K | Joback Calculated Property |
| Tfus | 541.36 | K | Joback Calculated Property |
| Vc | 1.018 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [816.53; 892.87] | J/mol×K | [850.24; 1063.24] |
|
| Cp,gas | 816.53 | J/mol×K | 850.24 | Joback Calculated Property |
| Cp,gas | 831.55 | J/mol×K | 885.74 | Joback Calculated Property |
| Cp,gas | 845.56 | J/mol×K | 921.24 | Joback Calculated Property |
| Cp,gas | 858.62 | J/mol×K | 956.74 | Joback Calculated Property |
| Cp,gas | 870.81 | J/mol×K | 992.24 | Joback Calculated Property |
| Cp,gas | 882.20 | J/mol×K | 1027.74 | Joback Calculated Property |
| Cp,gas | 892.87 | J/mol×K | 1063.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(1-naphthoyl)-, hexyl ester.
Sources
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