- InChI
- InChI=1S/C20H31NO3/c1-4-6-8-9-15-24-19(22)16-21(3)20(23)18-13-11-17(12-14-18)10-7-5-2/h11-14H,4-10,15-16H2,1-3H3
- InChI Key
- ILEPPZWQWHOOFZ-UHFFFAOYSA-N
- Formula
- C20H31NO3
- SMILES
-
CCCCCCOC(=O)CN(C)C(=O)c1ccc(CC
CC)cc1 - Molecular Weight1
- 333.46
- 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 | 0.9482 | Relay (1.0) Calculated Property | |
| ΔfG° | -31.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -623.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.225 | Crippen Calculated Property | |
| McVol | 287.890 | ml/mol | McGowan Calculated Property |
| Pc | 1356.63 | kPa | Joback Calculated Property |
| Inp | [2591.00; 2591.00] |
|
|
| Inp | 2591.00 | NIST | |
| Inp | 2591.00 | NIST | |
| Tboil | 651.21 | K | Relay (1.0) Calculated Property |
| Tc | 853.34 | K | Relay (1.0) Calculated Property |
| Tfus | 289.48 | K | Relay (1.0) Calculated Property |
| Vc | 1.074 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [890.48; 974.62] | J/mol×K | [831.26; 1030.06] |
|
| Cp,gas | 890.48 | J/mol×K | 831.26 | Joback Calculated Property |
| Cp,gas | 907.08 | J/mol×K | 864.39 | Joback Calculated Property |
| Cp,gas | 922.59 | J/mol×K | 897.53 | Joback Calculated Property |
| Cp,gas | 937.06 | J/mol×K | 930.66 | Joback Calculated Property |
| Cp,gas | 950.53 | J/mol×K | 963.79 | Joback Calculated Property |
| Cp,gas | 963.03 | J/mol×K | 996.92 | Joback Calculated Property |
| Cp,gas | 974.62 | J/mol×K | 1030.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(4-butylbenzoyl)-, hexyl ester.
Sources
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