- InChI
- InChI=1S/C18H21NO3/c1-13(2)12-22-17(20)11-19(3)18(21)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,13H,11-12H2,1-3H3
- InChI Key
- ZHYPEWAUIATXIS-UHFFFAOYSA-N
- Formula
- C18H21NO3
- SMILES
-
CC(C)COC(=O)CN(C)C(=O)c1cccc2c
cccc12 - Molecular Weight1
- 299.36
- 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° | 55.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -293.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.80 | kJ/mol | Joback Calculated Property |
| log10WS | -4.13 | Crippen Calculated Property | |
| logPoct/wat | 3.111 | Crippen Calculated Property | |
| McVol | 240.250 | ml/mol | McGowan Calculated Property |
| Pc | 1940.65 | kPa | Joback Calculated Property |
| Inp | 2465.00 | NIST | |
| Tboil | 804.04 | K | Joback Calculated Property |
| Tc | 1023.17 | K | Joback Calculated Property |
| Tfus | 503.82 | K | Joback Calculated Property |
| Vc | 0.899 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [703.10; 777.09] | J/mol×K | [804.04; 1023.17] | 
|
| Cp,gas | 703.10 | J/mol×K | 804.04 | Joback Calculated Property |
| Cp,gas | 717.83 | J/mol×K | 840.56 | Joback Calculated Property |
| Cp,gas | 731.51 | J/mol×K | 877.08 | Joback Calculated Property |
| Cp,gas | 744.20 | J/mol×K | 913.61 | Joback Calculated Property |
| Cp,gas | 755.98 | J/mol×K | 950.13 | Joback Calculated Property |
| Cp,gas | 766.92 | J/mol×K | 986.65 | Joback Calculated Property |
| Cp,gas | 777.09 | J/mol×K | 1023.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(1-naphthoyl)-, isobutyl ester.
Sources
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