- InChI
- InChI=1S/C17H19NO3/c1-3-11-21-16(19)12-18(2)17(20)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,3,11-12H2,1-2H3
- InChI Key
- KPFUTBYCLGRDIM-UHFFFAOYSA-N
- Formula
- C17H19NO3
- SMILES
-
CCCOC(=O)CN(C)C(=O)c1cccc2cccc
c12 - Molecular Weight1
- 285.34
- 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 | 0.7490 | Relay (1.0) Calculated Property | |
| ΔfG° | 49.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -394.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.865 | Crippen Calculated Property | |
| McVol | 226.160 | ml/mol | McGowan Calculated Property |
| Pc | 2100.34 | kPa | Joback Calculated Property |
| Inp | [2419.00; 2419.00] |
|
|
| Inp | 2419.00 | NIST | |
| Inp | 2419.00 | NIST | |
| Tboil | 663.10 | K | Relay (1.0) Calculated Property |
| Tc | 901.93 | K | Relay (1.0) Calculated Property |
| Tfus | 342.04 | K | Relay (1.0) Calculated Property |
| Vc | 0.827 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [646.94; 718.59] | J/mol×K | [781.60; 999.98] |
|
| Cp,gas | 646.94 | J/mol×K | 781.60 | Joback Calculated Property |
| Cp,gas | 661.20 | J/mol×K | 818.00 | Joback Calculated Property |
| Cp,gas | 674.43 | J/mol×K | 854.39 | Joback Calculated Property |
| Cp,gas | 686.72 | J/mol×K | 890.79 | Joback Calculated Property |
| Cp,gas | 698.13 | J/mol×K | 927.19 | Joback Calculated Property |
| Cp,gas | 708.73 | J/mol×K | 963.59 | Joback Calculated Property |
| Cp,gas | 718.59 | J/mol×K | 999.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(1-naphthoyl)-, propyl ester.
Sources
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