- InChI
- InChI=1S/C24H47NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-23(26)21-25(4)24(27)22(2)3/h22H,5-21H2,1-4H3
- InChI Key
- LRJWHJIDSPAQFU-UHFFFAOYSA-N
- Formula
- C24H47NO3
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CN(C)C(
=O)C(C)C - Molecular Weight1
- 397.63
- 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 | 1.1224 | Relay (1.0) Calculated Property | |
| ΔfG° | -103.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -944.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.515 | Crippen Calculated Property | |
| McVol | 368.010 | ml/mol | McGowan Calculated Property |
| Pc | 861.50 | kPa | Joback Calculated Property |
| Inp | [2917.00; 2917.00] |
|
|
| Inp | 2917.00 | NIST | |
| Inp | 2917.00 | NIST | |
| Tboil | 626.50 | K | Relay (1.0) Calculated Property |
| Tc | 828.32 | K | Relay (1.0) Calculated Property |
| Tfus | 320.60 | K | Relay (1.0) Calculated Property |
| Vc | 1.420 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1230.02; 1334.93] | J/mol×K | [890.68; 1091.05] |
|
| Cp,gas | 1230.02 | J/mol×K | 890.68 | Joback Calculated Property |
| Cp,gas | 1250.61 | J/mol×K | 924.07 | Joback Calculated Property |
| Cp,gas | 1269.89 | J/mol×K | 957.47 | Joback Calculated Property |
| Cp,gas | 1287.90 | J/mol×K | 990.86 | Joback Calculated Property |
| Cp,gas | 1304.71 | J/mol×K | 1024.26 | Joback Calculated Property |
| Cp,gas | 1320.37 | J/mol×K | 1057.65 | Joback Calculated Property |
| Cp,gas | 1334.93 | J/mol×K | 1091.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-isobutyryl-, heptadecyl ester.
Sources
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