- InChI
- InChI=1S/C15H21NO3/c1-3-11-19-15(18)12-16(2)14(17)10-9-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
- InChI Key
- PSVJBJCNVZEEDN-UHFFFAOYSA-N
- Formula
- C15H21NO3
- SMILES
- CCCOC(=O)CN(C)C(=O)CCc1ccccc1
- Molecular Weight1
- 263.33
- 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 | 0.7221 | Relay (1.0) Calculated Property | |
| ΔfG° | -64.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -500.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.031 | Crippen Calculated Property | |
| McVol | 217.440 | ml/mol | McGowan Calculated Property |
| Pc | 2029.06 | kPa | Joback Calculated Property |
| Inp | 2115.00 | NIST | |
| Tboil | 604.58 | K | Relay (1.0) Calculated Property |
| Tc | 802.95 | K | Relay (1.0) Calculated Property |
| Tfus | 287.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.802 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [606.84; 685.18] | J/mol×K | [711.88; 914.00] | 
|
| Cp,gas | 606.84 | J/mol×K | 711.88 | Joback Calculated Property |
| Cp,gas | 622.25 | J/mol×K | 745.57 | Joback Calculated Property |
| Cp,gas | 636.67 | J/mol×K | 779.25 | Joback Calculated Property |
| Cp,gas | 650.13 | J/mol×K | 812.94 | Joback Calculated Property |
| Cp,gas | 662.69 | J/mol×K | 846.63 | Joback Calculated Property |
| Cp,gas | 674.36 | J/mol×K | 880.32 | Joback Calculated Property |
| Cp,gas | 685.18 | J/mol×K | 914.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(3-phenylpropionyl)-, propyl ester.
Sources
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