- InChI
- InChI=1S/C15H27NO3/c1-12(2)11-19-15(18)10-16(3)14(17)9-8-13-6-4-5-7-13/h12-13H,4-11H2,1-3H3
- InChI Key
- CGTCBOUATQPIAS-UHFFFAOYSA-N
- Formula
- C15H27NO3
- SMILES
-
CC(C)COC(=O)CN(C)C(=O)CCC1CCCC
1 - Molecular Weight1
- 269.38
- 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 | 0.7084 | Relay (1.0) Calculated Property | |
| ΔfG° | -142.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -745.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.614 | Crippen Calculated Property | |
| McVol | 230.340 | ml/mol | McGowan Calculated Property |
| Pc | 1790.91 | kPa | Joback Calculated Property |
| Inp | 2044.00 | NIST | |
| Tboil | 602.96 | K | Relay (1.0) Calculated Property |
| Tc | 790.99 | K | Relay (1.0) Calculated Property |
| Tfus | 274.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.850 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [680.41; 774.79] | J/mol×K | [700.04; 895.08] | 
|
| Cp,gas | 680.41 | J/mol×K | 700.04 | Joback Calculated Property |
| Cp,gas | 698.73 | J/mol×K | 732.55 | Joback Calculated Property |
| Cp,gas | 715.96 | J/mol×K | 765.05 | Joback Calculated Property |
| Cp,gas | 732.15 | J/mol×K | 797.56 | Joback Calculated Property |
| Cp,gas | 747.32 | J/mol×K | 830.07 | Joback Calculated Property |
| Cp,gas | 761.53 | J/mol×K | 862.57 | Joback Calculated Property |
| Cp,gas | 774.79 | J/mol×K | 895.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(3-cyclopentylpropionyl)-, isobutyl ester.
Sources
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