- InChI
- InChI=1S/C15H21NO3/c1-4-5-10-19-14(17)11-16(3)15(18)13-8-6-12(2)7-9-13/h6-9H,4-5,10-11H2,1-3H3
- InChI Key
- LOCYYPZRELJADF-UHFFFAOYSA-N
- Formula
- C15H21NO3
- SMILES
-
CCCCOC(=O)CN(C)C(=O)c1ccc(C)cc
1 - Molecular Weight1
- 263.33
- 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 | 0.7513 | Relay (1.0) Calculated Property | |
| ΔfG° | -73.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -519.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.410 | Crippen Calculated Property | |
| McVol | 217.440 | ml/mol | McGowan Calculated Property |
| Pc | 2001.91 | kPa | Joback Calculated Property |
| Inp | [2117.00; 2117.00] |
|
|
| Inp | 2117.00 | NIST | |
| Inp | 2117.00 | NIST | |
| Tboil | 615.01 | K | Relay (1.0) Calculated Property |
| Tc | 805.54 | K | Relay (1.0) Calculated Property |
| Tfus | 300.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.803 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [606.12; 683.89] | J/mol×K | [716.86; 919.80] |
|
| Cp,gas | 606.12 | J/mol×K | 716.86 | Joback Calculated Property |
| Cp,gas | 621.39 | J/mol×K | 750.68 | Joback Calculated Property |
| Cp,gas | 635.70 | J/mol×K | 784.51 | Joback Calculated Property |
| Cp,gas | 649.08 | J/mol×K | 818.33 | Joback Calculated Property |
| Cp,gas | 661.55 | J/mol×K | 852.15 | Joback Calculated Property |
| Cp,gas | 673.14 | J/mol×K | 885.98 | Joback Calculated Property |
| Cp,gas | 683.89 | J/mol×K | 919.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(4-methylbenzoyl)-, butyl ester.
Sources
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