- InChI
- InChI=1S/C21H27NO3/c1-3-4-5-6-9-15-25-20(23)16-22(2)21(24)19-14-10-12-17-11-7-8-13-18(17)19/h7-8,10-14H,3-6,9,15-16H2,1-2H3
- InChI Key
- ICVCDYFXAFSJKS-UHFFFAOYSA-N
- Formula
- C21H27NO3
- SMILES
-
CCCCCCCOC(=O)CN(C)C(=O)c1cccc2
ccccc12 - Molecular Weight1
- 341.44
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 83.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -350.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.86 | kJ/mol | Joback Calculated Property |
| log10WS | -5.63 | Crippen Calculated Property | |
| logPoct/wat | 4.425 | Crippen Calculated Property | |
| McVol | 282.520 | ml/mol | McGowan Calculated Property |
| Pc | 1518.75 | kPa | Joback Calculated Property |
| Inp | [2850.00; 2850.00] |
|
|
| Inp | 2850.00 | NIST | |
| Inp | 2850.00 | NIST | |
| Tboil | 873.12 | K | Joback Calculated Property |
| Tc | 1085.62 | K | Joback Calculated Property |
| Tfus | 552.63 | K | Joback Calculated Property |
| Vc | 1.073 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [874.82; 952.59] | J/mol×K | [873.12; 1085.62] |
|
| Cp,gas | 874.82 | J/mol×K | 873.12 | Joback Calculated Property |
| Cp,gas | 890.08 | J/mol×K | 908.54 | Joback Calculated Property |
| Cp,gas | 904.32 | J/mol×K | 943.95 | Joback Calculated Property |
| Cp,gas | 917.62 | J/mol×K | 979.37 | Joback Calculated Property |
| Cp,gas | 930.04 | J/mol×K | 1014.78 | Joback Calculated Property |
| Cp,gas | 941.68 | J/mol×K | 1050.20 | Joback Calculated Property |
| Cp,gas | 952.59 | J/mol×K | 1085.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(1-naphthoyl)-, heptyl ester.
Sources
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