- InChI
- InChI=1S/C20H31NO4/c1-4-5-6-7-8-9-12-15-25-19(22)16-21(2)20(23)17-13-10-11-14-18(17)24-3/h10-11,13-14H,4-9,12,15-16H2,1-3H3
- InChI Key
- CESMTXWUEDTEAM-UHFFFAOYSA-N
- Formula
- C20H31NO4
- SMILES
-
CCCCCCCCCOC(=O)CN(C)C(=O)c1ccc
cc1OC - Molecular Weight1
- 349.46
- 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 | 0.9982 | Relay (1.0) Calculated Property | |
| ΔfG° | -136.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -733.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.061 | Crippen Calculated Property | |
| McVol | 293.760 | ml/mol | McGowan Calculated Property |
| Pc | 1339.80 | kPa | Joback Calculated Property |
| Inp | 2658.00 | NIST | |
| Tboil | 654.82 | K | Relay (1.0) Calculated Property |
| Tc | 861.45 | K | Relay (1.0) Calculated Property |
| Tfus | 321.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.093 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [920.18; 1000.44] | J/mol×K | [853.68; 1053.86] | 
|
| Cp,gas | 920.18 | J/mol×K | 853.68 | Joback Calculated Property |
| Cp,gas | 936.33 | J/mol×K | 887.04 | Joback Calculated Property |
| Cp,gas | 951.33 | J/mol×K | 920.41 | Joback Calculated Property |
| Cp,gas | 965.21 | J/mol×K | 953.77 | Joback Calculated Property |
| Cp,gas | 978.00 | J/mol×K | 987.13 | Joback Calculated Property |
| Cp,gas | 989.73 | J/mol×K | 1020.50 | Joback Calculated Property |
| Cp,gas | 1000.44 | J/mol×K | 1053.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(2-methoxybenzoyl)-, nonyl ester.
Sources
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