- InChI
- InChI=1S/C16H23NO3/c1-4-5-6-11-20-15(18)12-17(3)16(19)14-9-7-13(2)8-10-14/h7-10H,4-6,11-12H2,1-3H3
- InChI Key
- UNYAASLIZYWDQC-UHFFFAOYSA-N
- Formula
- C16H23NO3
- SMILES
-
CCCCCOC(=O)CN(C)C(=O)c1ccc(C)c
c1 - Molecular Weight1
- 277.36
- 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 | 0.7927 | Relay (1.0) Calculated Property | |
| ΔfG° | -65.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -539.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.800 | Crippen Calculated Property | |
| McVol | 231.530 | ml/mol | McGowan Calculated Property |
| Pc | 1840.41 | kPa | Joback Calculated Property |
| Inp | 2201.00 | NIST | |
| Tboil | 622.61 | K | Relay (1.0) Calculated Property |
| Tc | 817.32 | K | Relay (1.0) Calculated Property |
| Tfus | 305.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.856 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [660.97; 740.37] | J/mol×K | [739.74; 940.76] | 
|
| Cp,gas | 660.97 | J/mol×K | 739.74 | Joback Calculated Property |
| Cp,gas | 676.57 | J/mol×K | 773.24 | Joback Calculated Property |
| Cp,gas | 691.17 | J/mol×K | 806.75 | Joback Calculated Property |
| Cp,gas | 704.83 | J/mol×K | 840.25 | Joback Calculated Property |
| Cp,gas | 717.55 | J/mol×K | 873.75 | Joback Calculated Property |
| Cp,gas | 729.39 | J/mol×K | 907.26 | Joback Calculated Property |
| Cp,gas | 740.37 | J/mol×K | 940.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(4-methylbenzoyl)-, pentyl ester.
Sources
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