- InChI
- InChI=1S/C26H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-25(28)22-27(3)26(29)24-19-17-23(2)18-20-24/h17-20H,4-16,21-22H2,1-3H3
- InChI Key
- LWKOHUFWAWAWRI-UHFFFAOYSA-N
- Formula
- C26H43NO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CN(C)C(=O
)c1ccc(C)cc1 - Molecular Weight1
- 417.62
- 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).
- 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 | 1.1689 | Relay (1.0) Calculated Property | |
| ΔfG° | 18.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -755.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.701 | Crippen Calculated Property | |
| McVol | 372.430 | ml/mol | McGowan Calculated Property |
| Pc | 923.30 | kPa | Joback Calculated Property |
| Tboil | 693.36 | K | Relay (1.0) Calculated Property |
| Tc | 895.42 | K | Relay (1.0) Calculated Property |
| Tfus | 324.57 | K | Relay (1.0) Calculated Property |
| Vc | 1.405 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1257.68; 1348.66] | J/mol×K | [968.54; 1186.07] | 
|
| Cp,gas | 1257.68 | J/mol×K | 968.54 | Joback Calculated Property |
| Cp,gas | 1276.04 | J/mol×K | 1004.79 | Joback Calculated Property |
| Cp,gas | 1293.03 | J/mol×K | 1041.05 | Joback Calculated Property |
| Cp,gas | 1308.70 | J/mol×K | 1077.30 | Joback Calculated Property |
| Cp,gas | 1323.15 | J/mol×K | 1113.56 | Joback Calculated Property |
| Cp,gas | 1336.44 | J/mol×K | 1149.81 | Joback Calculated Property |
| Cp,gas | 1348.66 | J/mol×K | 1186.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(4-methylbenzoyl)-, pentadecyl ester.
Sources
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