- InChI
- InChI=1S/C16H17NO3/c1-3-20-15(18)11-17(2)16(19)14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,3,11H2,1-2H3
- InChI Key
- BWXLOQQWFADZBC-UHFFFAOYSA-N
- Formula
- C16H17NO3
- SMILES
-
CCOC(=O)CN(C)C(=O)c1cccc2ccccc
12 - Molecular Weight1
- 271.31
- 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 | 0.6966 | Relay (1.0) Calculated Property | |
| ΔfG° | 41.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -381.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.475 | Crippen Calculated Property | |
| McVol | 212.070 | ml/mol | McGowan Calculated Property |
| Pc | 2298.11 | kPa | Joback Calculated Property |
| Inp | 2316.00 | NIST | |
| Tboil | 654.39 | K | Relay (1.0) Calculated Property |
| Tc | 897.60 | K | Relay (1.0) Calculated Property |
| Tfus | 350.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.774 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [592.38; 662.13] | J/mol×K | [758.72; 980.05] | 
|
| Cp,gas | 592.38 | J/mol×K | 758.72 | Joback Calculated Property |
| Cp,gas | 606.32 | J/mol×K | 795.61 | Joback Calculated Property |
| Cp,gas | 619.25 | J/mol×K | 832.50 | Joback Calculated Property |
| Cp,gas | 631.22 | J/mol×K | 869.39 | Joback Calculated Property |
| Cp,gas | 642.32 | J/mol×K | 906.27 | Joback Calculated Property |
| Cp,gas | 652.60 | J/mol×K | 943.16 | Joback Calculated Property |
| Cp,gas | 662.13 | J/mol×K | 980.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(1-naphthoyl)-, ethyl ester.
Sources
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