- InChI
- InChI=1S/C18H27NO3/c1-4-6-7-8-13-22-17(20)14-19(3)18(21)16-11-9-15(5-2)10-12-16/h9-12H,4-8,13-14H2,1-3H3
- InChI Key
- RARRVRXCHBPLLT-UHFFFAOYSA-N
- Formula
- C18H27NO3
- SMILES
-
CCCCCCOC(=O)CN(C)C(=O)c1ccc(CC
)cc1 - Molecular Weight1
- 305.41
- 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 | 0.8668 | Relay (1.0) Calculated Property | |
| ΔfG° | -48.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -577.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.444 | Crippen Calculated Property | |
| McVol | 259.710 | ml/mol | McGowan Calculated Property |
| Pc | 1570.96 | kPa | Joback Calculated Property |
| Inp | [2401.00; 2401.00] |
|
|
| Inp | 2401.00 | NIST | |
| Inp | 2401.00 | NIST | |
| Tboil | 631.44 | K | Relay (1.0) Calculated Property |
| Tc | 837.36 | K | Relay (1.0) Calculated Property |
| Tfus | 285.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.965 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [773.86; 855.87] | J/mol×K | [785.50; 984.22] |
|
| Cp,gas | 773.86 | J/mol×K | 785.50 | Joback Calculated Property |
| Cp,gas | 789.98 | J/mol×K | 818.62 | Joback Calculated Property |
| Cp,gas | 805.08 | J/mol×K | 851.74 | Joback Calculated Property |
| Cp,gas | 819.18 | J/mol×K | 884.86 | Joback Calculated Property |
| Cp,gas | 832.32 | J/mol×K | 917.98 | Joback Calculated Property |
| Cp,gas | 844.54 | J/mol×K | 951.10 | Joback Calculated Property |
| Cp,gas | 855.87 | J/mol×K | 984.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(4-ethylbenzoyl)-, hexyl ester.
Sources
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