- InChI
- InChI=1S/C9H17NO3/c1-5-13-8(11)6-10(4)9(12)7(2)3/h7H,5-6H2,1-4H3
- InChI Key
- ZMUZUZYDOVYEIE-UHFFFAOYSA-N
- Formula
- C9H17NO3
- SMILES
- CCOC(=O)CN(C)C(=O)C(C)C
- Molecular Weight1
- 187.24
- 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 | 0.5650 | Relay (1.0) Calculated Property | |
| ΔfG° | -229.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -645.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.664 | Crippen Calculated Property | |
| McVol | 156.660 | ml/mol | McGowan Calculated Property |
| Pc | 2584.59 | kPa | Joback Calculated Property |
| Inp | 1371.00 | NIST | |
| Tboil | 498.95 | K | Relay (1.0) Calculated Property |
| Tc | 674.67 | K | Relay (1.0) Calculated Property |
| Tfus | 277.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.590 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [378.56; 450.35] | J/mol×K | [547.48; 731.87] | 
|
| Cp,gas | 378.56 | J/mol×K | 547.48 | Joback Calculated Property |
| Cp,gas | 392.05 | J/mol×K | 578.21 | Joback Calculated Property |
| Cp,gas | 404.91 | J/mol×K | 608.94 | Joback Calculated Property |
| Cp,gas | 417.16 | J/mol×K | 639.67 | Joback Calculated Property |
| Cp,gas | 428.81 | J/mol×K | 670.41 | Joback Calculated Property |
| Cp,gas | 439.87 | J/mol×K | 701.14 | Joback Calculated Property |
| Cp,gas | 450.35 | J/mol×K | 731.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-isobutyryl-, ethyl ester.
Sources
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