- InChI
- InChI=1S/C19H23NO3/c1-3-4-7-13-23-18(21)14-20(2)19(22)17-12-8-10-15-9-5-6-11-16(15)17/h5-6,8-12H,3-4,7,13-14H2,1-2H3
- InChI Key
- GMLAGKZURTUBGK-UHFFFAOYSA-N
- Formula
- C19H23NO3
- SMILES
-
CCCCCOC(=O)CN(C)C(=O)c1cccc2cc
ccc12 - Molecular Weight1
- 313.39
- 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 | 0.8366 | Relay (1.0) Calculated Property | |
| ΔfG° | 66.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -435.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.645 | Crippen Calculated Property | |
| McVol | 254.340 | ml/mol | McGowan Calculated Property |
| Pc | 1774.35 | kPa | Joback Calculated Property |
| Inp | [2612.00; 2612.00] |
|
|
| Inp | 2612.00 | NIST | |
| Inp | 2612.00 | NIST | |
| Tboil | 674.94 | K | Relay (1.0) Calculated Property |
| Tc | 920.17 | K | Relay (1.0) Calculated Property |
| Tfus | 335.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.932 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [759.08; 833.96] | J/mol×K | [827.36; 1041.53] |
|
| Cp,gas | 759.08 | J/mol×K | 827.36 | Joback Calculated Property |
| Cp,gas | 773.86 | J/mol×K | 863.06 | Joback Calculated Property |
| Cp,gas | 787.63 | J/mol×K | 898.75 | Joback Calculated Property |
| Cp,gas | 800.45 | J/mol×K | 934.45 | Joback Calculated Property |
| Cp,gas | 812.40 | J/mol×K | 970.14 | Joback Calculated Property |
| Cp,gas | 823.55 | J/mol×K | 1005.84 | Joback Calculated Property |
| Cp,gas | 833.96 | J/mol×K | 1041.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(1-naphthoyl)-, pentyl ester.
Sources
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