- InChI
- InChI=1S/C18H35NO3/c1-4-6-8-9-10-11-13-15-22-18(21)16-19(3)17(20)14-12-7-5-2/h4-16H2,1-3H3
- InChI Key
- ZJBFUSPAEUISOT-UHFFFAOYSA-N
- Formula
- C18H35NO3
- SMILES
- CCCCCCCCCOC(=O)CN(C)C(=O)CCCCC
- Molecular Weight1
- 313.48
- 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° | -151.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -704.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.61 | kJ/mol | Joback Calculated Property |
| log10WS | -4.56 | Crippen Calculated Property | |
| logPoct/wat | 4.319 | Crippen Calculated Property | |
| McVol | 283.470 | ml/mol | McGowan Calculated Property |
| Pc | 1240.71 | kPa | Joback Calculated Property |
| Inp | [2299.00; 2299.00] |
|
|
| Inp | 2299.00 | NIST | |
| Inp | 2299.00 | NIST | |
| Tboil | 753.84 | K | Joback Calculated Property |
| Tc | 931.11 | K | Joback Calculated Property |
| Tfus | 447.18 | K | Joback Calculated Property |
| Vc | 1.091 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [860.75; 954.19] | J/mol×K | [753.84; 931.11] |
|
| Cp,gas | 860.75 | J/mol×K | 753.84 | Joback Calculated Property |
| Cp,gas | 878.53 | J/mol×K | 783.38 | Joback Calculated Property |
| Cp,gas | 895.40 | J/mol×K | 812.93 | Joback Calculated Property |
| Cp,gas | 911.37 | J/mol×K | 842.47 | Joback Calculated Property |
| Cp,gas | 926.47 | J/mol×K | 872.02 | Joback Calculated Property |
| Cp,gas | 940.74 | J/mol×K | 901.56 | Joback Calculated Property |
| Cp,gas | 954.19 | J/mol×K | 931.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, n-hexanoyl-, nonyl ester.
Sources
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