- InChI
- InChI=1S/C14H27NO3/c1-4-6-8-9-11-18-14(17)12-15(3)13(16)10-7-5-2/h4-12H2,1-3H3
- InChI Key
- PMUACKSSIGXLNX-UHFFFAOYSA-N
- Formula
- C14H27NO3
- SMILES
- CCCCCCOC(=O)CN(C)C(=O)CCCC
- Molecular Weight1
- 257.37
- 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 | 0.7999 | Relay (1.0) Calculated Property | |
| ΔfG° | -185.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -737.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.758 | Crippen Calculated Property | |
| McVol | 227.110 | ml/mol | McGowan Calculated Property |
| Pc | 1659.19 | kPa | Joback Calculated Property |
| Inp | 1913.00 | NIST | |
| Tboil | 567.12 | K | Relay (1.0) Calculated Property |
| Tc | 746.64 | K | Relay (1.0) Calculated Property |
| Tfus | 260.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.867 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [633.14; 718.68] | J/mol×K | [662.32; 837.24] | 
|
| Cp,gas | 633.14 | J/mol×K | 662.32 | Joback Calculated Property |
| Cp,gas | 649.26 | J/mol×K | 691.47 | Joback Calculated Property |
| Cp,gas | 664.62 | J/mol×K | 720.63 | Joback Calculated Property |
| Cp,gas | 679.22 | J/mol×K | 749.78 | Joback Calculated Property |
| Cp,gas | 693.08 | J/mol×K | 778.93 | Joback Calculated Property |
| Cp,gas | 706.23 | J/mol×K | 808.08 | Joback Calculated Property |
| Cp,gas | 718.68 | J/mol×K | 837.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-valeryl-, hexyl ester.
Sources
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