- InChI
- InChI=1S/C27H53NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-22-24-31-27(30)25-28(3)26(29)23-21-7-5-2/h4-25H2,1-3H3
- InChI Key
- OALXXRCTXZBODD-UHFFFAOYSA-N
- Formula
- C27H53NO3
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CN(C)C
(=O)CCCCC - Molecular Weight1
- 439.71
- 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).
- 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 | 1.2590 | Relay (... Calculated Property | |
| ΔfG° | -75.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1004.13 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 73.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.90 | kJ/mol | Relay (... Calculated Property |
| IE | 8.96 | eV | Relay (... Calculated Property |
| log10WS | -6.89 | Relay (... Calculated Property | |
| logPoct/wat | 7.830 | Crippen Calculated Property | |
| McVol | 410.280 | ml/mol | McGowan Calculated Property |
| Pc | 729.28 | kPa | Joback Calculated Property |
| Tboil | 659.03 | K | Relay (... Calculated Property |
| Tc | 852.62 | K | Relay (... Calculated Property |
| Tfus | 318.00 | K | Relay (... Calculated Property |
| Vc | 1.589 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1422.59; 1535.90] | J/mol×K | [959.76; 1185.58] | 
|
| Cp,gas | 1422.59 | J/mol×K | 959.76 | Joback Calculated Property |
| Cp,gas | 1445.34 | J/mol×K | 997.40 | Joback Calculated Property |
| Cp,gas | 1466.43 | J/mol×K | 1035.03 | Joback Calculated Property |
| Cp,gas | 1485.94 | J/mol×K | 1072.67 | Joback Calculated Property |
| Cp,gas | 1503.97 | J/mol×K | 1110.30 | Joback Calculated Property |
| Cp,gas | 1520.59 | J/mol×K | 1147.94 | Joback Calculated Property |
| Cp,gas | 1535.90 | J/mol×K | 1185.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, n-hexanoyl-, octadecyl ester.
Sources
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