- InChI
- InChI=1S/C22H29NO3/c1-3-4-5-6-7-10-16-26-21(24)17-23(2)22(25)20-15-11-13-18-12-8-9-14-19(18)20/h8-9,11-15H,3-7,10,16-17H2,1-2H3
- InChI Key
- KBJDHTURUVJWCB-UHFFFAOYSA-N
- Formula
- C22H29NO3
- SMILES
-
CCCCCCCCOC(=O)CN(C)C(=O)c1cccc
2ccccc12 - Molecular Weight1
- 355.47
- 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 | 0.9604 | Relay (1.0) Calculated Property | |
| ΔfG° | 91.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -500.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.816 | Crippen Calculated Property | |
| McVol | 296.610 | ml/mol | McGowan Calculated Property |
| Pc | 1411.18 | kPa | Joback Calculated Property |
| Inp | 2989.00 | NIST | |
| Tboil | 697.07 | K | Relay (1.0) Calculated Property |
| Tc | 941.37 | K | Relay (1.0) Calculated Property |
| Tfus | 335.75 | K | Relay (1.0) Calculated Property |
| Vc | 1.097 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [933.90; 1013.13] | J/mol×K | [896.00; 1108.72] | 
|
| Cp,gas | 933.90 | J/mol×K | 896.00 | Joback Calculated Property |
| Cp,gas | 949.41 | J/mol×K | 931.45 | Joback Calculated Property |
| Cp,gas | 963.89 | J/mol×K | 966.91 | Joback Calculated Property |
| Cp,gas | 977.42 | J/mol×K | 1002.36 | Joback Calculated Property |
| Cp,gas | 990.09 | J/mol×K | 1037.81 | Joback Calculated Property |
| Cp,gas | 1001.96 | J/mol×K | 1073.27 | Joback Calculated Property |
| Cp,gas | 1013.13 | J/mol×K | 1108.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(1-naphthoyl)-, octyl ester.
Sources
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