- InChI
- InChI=1S/C20H25NO3/c1-15(2)8-7-13-24-19(22)14-21(3)20(23)18-12-6-10-16-9-4-5-11-17(16)18/h4-6,9-12,15H,7-8,13-14H2,1-3H3
- InChI Key
- KYWSXMKJVLOMTD-UHFFFAOYSA-N
- Formula
- C20H25NO3
- SMILES
-
CC(C)CCCOC(=O)CN(C)C(=O)c1cccc
2ccccc12 - Molecular Weight1
- 327.42
- ω : Acentric Factor.
- 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).
- 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 | 0.8368 | Relay (1.0) Calculated Property | |
| ΔfG° | 72.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -475.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.891 | Crippen Calculated Property | |
| McVol | 268.430 | ml/mol | McGowan Calculated Property |
| Pc | 1649.77 | kPa | Joback Calculated Property |
| Inp | [2670.00; 2670.00] |
|
|
| Inp | 2670.00 | NIST | |
| Inp | 2670.00 | NIST | |
| Tboil | 682.72 | K | Relay (1.0) Calculated Property |
| Tc | 927.43 | K | Relay (1.0) Calculated Property |
| Tfus | 345.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.974 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [817.07; 893.86] | J/mol×K | [849.80; 1065.30] |
|
| Cp,gas | 817.07 | J/mol×K | 849.80 | Joback Calculated Property |
| Cp,gas | 832.25 | J/mol×K | 885.72 | Joback Calculated Property |
| Cp,gas | 846.37 | J/mol×K | 921.63 | Joback Calculated Property |
| Cp,gas | 859.52 | J/mol×K | 957.55 | Joback Calculated Property |
| Cp,gas | 871.77 | J/mol×K | 993.47 | Joback Calculated Property |
| Cp,gas | 883.19 | J/mol×K | 1029.39 | Joback Calculated Property |
| Cp,gas | 893.86 | J/mol×K | 1065.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(1-naphthoyl)-, isohexyl ester.
Sources
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