- InChI
- InChI=1S/C18H33NO3/c1-3-4-5-6-9-14-22-18(21)15-19(2)17(20)13-12-16-10-7-8-11-16/h16H,3-15H2,1-2H3
- InChI Key
- AWBRZDIJHAIONR-UHFFFAOYSA-N
- Formula
- C18H33NO3
- SMILES
-
CCCCCCCOC(=O)CN(C)C(=O)CCC1CCC
C1 - Molecular Weight1
- 311.46
- 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 | 0.8482 | Relay (1.0) Calculated Property | |
| ΔfG° | -191.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -788.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.929 | Crippen Calculated Property | |
| McVol | 272.610 | ml/mol | McGowan Calculated Property |
| Pc | 1371.74 | kPa | Joback Calculated Property |
| Inp | [2377.00; 2377.00] |
|
|
| Inp | 2377.00 | NIST | |
| Inp | 2377.00 | NIST | |
| Tboil | 626.94 | K | Relay (1.0) Calculated Property |
| Tc | 826.03 | K | Relay (1.0) Calculated Property |
| Tfus | 272.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.018 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [845.38; 942.49] | J/mol×K | [751.25; 938.87] |
|
| Cp,gas | 845.38 | J/mol×K | 751.25 | Joback Calculated Property |
| Cp,gas | 864.27 | J/mol×K | 782.52 | Joback Calculated Property |
| Cp,gas | 882.03 | J/mol×K | 813.79 | Joback Calculated Property |
| Cp,gas | 898.69 | J/mol×K | 845.06 | Joback Calculated Property |
| Cp,gas | 914.29 | J/mol×K | 876.33 | Joback Calculated Property |
| Cp,gas | 928.88 | J/mol×K | 907.60 | Joback Calculated Property |
| Cp,gas | 942.49 | J/mol×K | 938.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(3-cyclopentylpropionyl)-, heptyl ester.
Sources
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