- InChI
- InChI=1S/C16H29NO3/c1-3-4-7-12-20-16(19)13-17(2)15(18)11-10-14-8-5-6-9-14/h14H,3-13H2,1-2H3
- InChI Key
- VKWHFIKDDUHTBA-UHFFFAOYSA-N
- Formula
- C16H29NO3
- SMILES
- CCCCCOC(=O)CN(C)C(=O)CCC1CCCC1
- Molecular Weight1
- 283.41
- 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 | 0.7742 | Relay (1.0) Calculated Property | |
| ΔfG° | -131.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -747.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.149 | Crippen Calculated Property | |
| McVol | 244.430 | ml/mol | McGowan Calculated Property |
| Pc | 1643.09 | kPa | Joback Calculated Property |
| Inp | [2179.00; 2179.00] |
|
|
| Inp | 2179.00 | NIST | |
| Inp | 2179.00 | NIST | |
| Tboil | 611.38 | K | Relay (1.0) Calculated Property |
| Tc | 803.69 | K | Relay (1.0) Calculated Property |
| Tfus | 271.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.904 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [736.77; 831.09] | J/mol×K | [723.36; 914.29] |
|
| Cp,gas | 736.77 | J/mol×K | 723.36 | Joback Calculated Property |
| Cp,gas | 755.02 | J/mol×K | 755.18 | Joback Calculated Property |
| Cp,gas | 772.21 | J/mol×K | 787.00 | Joback Calculated Property |
| Cp,gas | 788.38 | J/mol×K | 818.82 | Joback Calculated Property |
| Cp,gas | 803.56 | J/mol×K | 850.64 | Joback Calculated Property |
| Cp,gas | 817.78 | J/mol×K | 882.47 | Joback Calculated Property |
| Cp,gas | 831.09 | J/mol×K | 914.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(3-cyclopentylpropionyl)-, pentyl ester.
Sources
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