- InChI
- InChI=1S/C21H41NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-25-20(23)18-22(4)21(24)19(2)3/h19H,5-18H2,1-4H3
- InChI Key
- XSPARGVZEQSIPS-UHFFFAOYSA-N
- Formula
- C21H41NO3
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CN(C)C(=O)
C(C)C - Molecular Weight1
- 355.56
- 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 | 1.0170 | Relay (1.0) Calculated Property | |
| ΔfG° | -128.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -883.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.345 | Crippen Calculated Property | |
| McVol | 325.740 | ml/mol | McGowan Calculated Property |
| Pc | 1027.94 | kPa | Joback Calculated Property |
| Inp | [2567.00; 2567.00] |
|
|
| Inp | 2567.00 | NIST | |
| Inp | 2567.00 | NIST | |
| Tboil | 606.11 | K | Relay (1.0) Calculated Property |
| Tc | 805.59 | K | Relay (1.0) Calculated Property |
| Tfus | 310.29 | K | Relay (1.0) Calculated Property |
| Vc | 1.253 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1042.26; 1141.36] | J/mol×K | [822.04; 1007.95] |
|
| Cp,gas | 1042.26 | J/mol×K | 822.04 | Joback Calculated Property |
| Cp,gas | 1061.38 | J/mol×K | 853.03 | Joback Calculated Property |
| Cp,gas | 1079.41 | J/mol×K | 884.01 | Joback Calculated Property |
| Cp,gas | 1096.39 | J/mol×K | 915.00 | Joback Calculated Property |
| Cp,gas | 1112.35 | J/mol×K | 945.98 | Joback Calculated Property |
| Cp,gas | 1127.32 | J/mol×K | 976.97 | Joback Calculated Property |
| Cp,gas | 1141.36 | J/mol×K | 1007.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-isobutyryl-, tetradecyl ester.
Sources
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