- InChI
- InChI=1S/C20H39NO3/c1-4-6-8-9-10-11-12-13-14-15-17-24-20(23)18-21(3)19(22)16-7-5-2/h4-18H2,1-3H3
- InChI Key
- AATJXMIVDDBCNG-UHFFFAOYSA-N
- Formula
- C20H39NO3
- SMILES
-
CCCCCCCCCCCCOC(=O)CN(C)C(=O)CC
CC - Molecular Weight1
- 341.53
- 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 | 1.0132 | Relay (1.0) Calculated Property | |
| ΔfG° | -134.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -861.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.099 | Crippen Calculated Property | |
| McVol | 311.650 | ml/mol | McGowan Calculated Property |
| Pc | 1088.50 | kPa | Joback Calculated Property |
| Inp | 2514.00 | NIST | |
| Tboil | 612.19 | K | Relay (1.0) Calculated Property |
| Tc | 802.23 | K | Relay (1.0) Calculated Property |
| Tfus | 293.15 | K | Relay (1.0) Calculated Property |
| Vc | 1.202 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [980.61; 1077.72] | J/mol×K | [799.60; 981.59] | 
|
| Cp,gas | 980.61 | J/mol×K | 799.60 | Joback Calculated Property |
| Cp,gas | 999.23 | J/mol×K | 829.93 | Joback Calculated Property |
| Cp,gas | 1016.83 | J/mol×K | 860.26 | Joback Calculated Property |
| Cp,gas | 1033.45 | J/mol×K | 890.59 | Joback Calculated Property |
| Cp,gas | 1049.12 | J/mol×K | 920.93 | Joback Calculated Property |
| Cp,gas | 1063.86 | J/mol×K | 951.26 | Joback Calculated Property |
| Cp,gas | 1077.72 | J/mol×K | 981.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-valeryl-, dodecyl ester.
Sources
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