- InChI
- InChI=1S/C17H25NO3/c1-4-5-6-7-11-21-16(19)13-18(3)17(20)15-10-8-9-14(2)12-15/h8-10,12H,4-7,11,13H2,1-3H3
- InChI Key
- OMYXYOFBIYXTMZ-UHFFFAOYSA-N
- Formula
- C17H25NO3
- SMILES
-
CCCCCCOC(=O)CN(C)C(=O)c1cccc(C
)c1 - Molecular Weight1
- 291.39
- 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° | -57.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -459.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.32 | kJ/mol | Joback Calculated Property |
| log10WS | -3.88 | Crippen Calculated Property | |
| logPoct/wat | 3.191 | Crippen Calculated Property | |
| McVol | 245.620 | ml/mol | McGowan Calculated Property |
| Pc | 1697.70 | kPa | Joback Calculated Property |
| Inp | 2273.00 | NIST | |
| Tboil | 762.62 | K | Joback Calculated Property |
| Tc | 962.22 | K | Joback Calculated Property |
| Tfus | 474.85 | K | Joback Calculated Property |
| Vc | 0.927 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [716.91; 797.70] | J/mol×K | [762.62; 962.22] | 
|
| Cp,gas | 716.91 | J/mol×K | 762.62 | Joback Calculated Property |
| Cp,gas | 732.79 | J/mol×K | 795.89 | Joback Calculated Property |
| Cp,gas | 747.65 | J/mol×K | 829.15 | Joback Calculated Property |
| Cp,gas | 761.54 | J/mol×K | 862.42 | Joback Calculated Property |
| Cp,gas | 774.49 | J/mol×K | 895.69 | Joback Calculated Property |
| Cp,gas | 786.53 | J/mol×K | 928.95 | Joback Calculated Property |
| Cp,gas | 797.70 | J/mol×K | 962.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(3-methylbenzoyl)-, hexyl ester.
Sources
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