- InChI
- InChI=1S/C18H27NO3/c1-5-15-8-10-16(11-9-15)18(21)19(4)13-17(20)22-12-6-7-14(2)3/h8-11,14H,5-7,12-13H2,1-4H3
- InChI Key
- ABDUAGNIOWPREJ-UHFFFAOYSA-N
- Formula
- C18H27NO3
- SMILES
-
CCc1ccc(C(=O)N(C)CC(=O)OCCCC(C
)C)cc1 - Molecular Weight1
- 305.41
- 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° | -51.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -484.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.16 | kJ/mol | Joback Calculated Property |
| log10WS | -3.97 | Crippen Calculated Property | |
| logPoct/wat | 3.300 | Crippen Calculated Property | |
| McVol | 259.710 | ml/mol | McGowan Calculated Property |
| Pc | 1580.97 | kPa | Joback Calculated Property |
| Inp | 2361.00 | NIST | |
| Tboil | 785.06 | K | Joback Calculated Property |
| Tc | 986.20 | K | Joback Calculated Property |
| Tfus | 471.12 | K | Joback Calculated Property |
| Vc | 0.978 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [774.39; 857.09] | J/mol×K | [785.06; 986.20] | 
|
| Cp,gas | 774.39 | J/mol×K | 785.06 | Joback Calculated Property |
| Cp,gas | 790.71 | J/mol×K | 818.58 | Joback Calculated Property |
| Cp,gas | 805.97 | J/mol×K | 852.11 | Joback Calculated Property |
| Cp,gas | 820.20 | J/mol×K | 885.63 | Joback Calculated Property |
| Cp,gas | 833.44 | J/mol×K | 919.16 | Joback Calculated Property |
| Cp,gas | 845.72 | J/mol×K | 952.68 | Joback Calculated Property |
| Cp,gas | 857.09 | J/mol×K | 986.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(4-ethylbenzoyl)-, isohexyl ester.
Sources
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