- InChI
- InChI=1S/C12H21NO3/c1-3-8-16-11(14)9-13(2)12(15)10-6-4-5-7-10/h10H,3-9H2,1-2H3
- InChI Key
- ITYUXPFUTILAEO-UHFFFAOYSA-N
- Formula
- C12H21NO3
- SMILES
- CCCOC(=O)CN(C)C(=O)C1CCCC1
- Molecular Weight1
- 227.30
- 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 | 0.6302 | Relay (1.0) Calculated Property | |
| ΔfG° | -165.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -639.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.588 | Crippen Calculated Property | |
| McVol | 188.070 | ml/mol | McGowan Calculated Property |
| Pc | 2304.74 | kPa | Joback Calculated Property |
| Inp | 1754.00 | NIST | |
| Tboil | 565.50 | K | Relay (1.0) Calculated Property |
| Tc | 760.57 | K | Relay (1.0) Calculated Property |
| Tfus | 288.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.692 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [516.46; 604.75] | J/mol×K | [631.84; 830.00] | 
|
| Cp,gas | 516.46 | J/mol×K | 631.84 | Joback Calculated Property |
| Cp,gas | 533.53 | J/mol×K | 664.87 | Joback Calculated Property |
| Cp,gas | 549.62 | J/mol×K | 697.89 | Joback Calculated Property |
| Cp,gas | 564.76 | J/mol×K | 730.92 | Joback Calculated Property |
| Cp,gas | 578.97 | J/mol×K | 763.95 | Joback Calculated Property |
| Cp,gas | 592.29 | J/mol×K | 796.97 | Joback Calculated Property |
| Cp,gas | 604.75 | J/mol×K | 830.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(cyclopentylcarbonyl)-, propyl ester.
Sources
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