- InChI
- InChI=1S/C14H27NO3/c1-5-6-7-8-9-10-18-13(16)11-15(4)14(17)12(2)3/h12H,5-11H2,1-4H3
- InChI Key
- AXTPOGGJCSJQTI-UHFFFAOYSA-N
- Formula
- C14H27NO3
- SMILES
- CCCCCCCOC(=O)CN(C)C(=O)C(C)C
- Molecular Weight1
- 257.37
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -187.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -627.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.31 | kJ/mol | Joback Calculated Property |
| log10WS | -2.65 | Crippen Calculated Property | |
| logPoct/wat | 2.614 | Crippen Calculated Property | |
| McVol | 227.110 | ml/mol | McGowan Calculated Property |
| Pc | 1670.06 | kPa | Joback Calculated Property |
| Inp | [1855.00; 1855.00] |
|
|
| Inp | 1855.00 | NIST | |
| Inp | 1855.00 | NIST | |
| Tboil | 661.88 | K | Joback Calculated Property |
| Tc | 839.22 | K | Joback Calculated Property |
| Tfus | 387.10 | K | Joback Calculated Property |
| Vc | 0.862 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [633.58; 720.24] | J/mol×K | [661.88; 839.22] |
|
| Cp,gas | 633.58 | J/mol×K | 661.88 | Joback Calculated Property |
| Cp,gas | 649.96 | J/mol×K | 691.44 | Joback Calculated Property |
| Cp,gas | 665.54 | J/mol×K | 720.99 | Joback Calculated Property |
| Cp,gas | 680.34 | J/mol×K | 750.55 | Joback Calculated Property |
| Cp,gas | 694.38 | J/mol×K | 780.11 | Joback Calculated Property |
| Cp,gas | 707.67 | J/mol×K | 809.66 | Joback Calculated Property |
| Cp,gas | 720.24 | J/mol×K | 839.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-isobutyryl-, heptyl ester.
Sources
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