- InChI
- InChI=1S/C15H21NO3/c1-11(2)10-19-14(17)9-16(4)15(18)13-7-5-12(3)6-8-13/h5-8,11H,9-10H2,1-4H3
- InChI Key
- IHAMTAGWELIWOU-UHFFFAOYSA-N
- Formula
- C15H21NO3
- SMILES
-
Cc1ccc(C(=O)N(C)CC(=O)OCC(C)C)
cc1 - 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 | 0.7176 | Relay (1.0) Calculated Property | |
| ΔfG° | -76.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -532.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.266 | Crippen Calculated Property | |
| McVol | 217.440 | ml/mol | McGowan Calculated Property |
| Pc | 2016.32 | kPa | Joback Calculated Property |
| Inp | [2066.00; 2066.00] |
|
|
| Inp | 2066.00 | NIST | |
| Inp | 2066.00 | NIST | |
| Tboil | 614.27 | K | Relay (1.0) Calculated Property |
| Tc | 804.41 | K | Relay (1.0) Calculated Property |
| Tfus | 317.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.801 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [606.64; 685.42] | J/mol×K | [716.42; 922.64] |
|
| Cp,gas | 606.64 | J/mol×K | 716.42 | Joback Calculated Property |
| Cp,gas | 622.19 | J/mol×K | 750.79 | Joback Calculated Property |
| Cp,gas | 636.72 | J/mol×K | 785.16 | Joback Calculated Property |
| Cp,gas | 650.28 | J/mol×K | 819.53 | Joback Calculated Property |
| Cp,gas | 662.89 | J/mol×K | 853.90 | Joback Calculated Property |
| Cp,gas | 674.60 | J/mol×K | 888.27 | Joback Calculated Property |
| Cp,gas | 685.42 | J/mol×K | 922.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(4-methylbenzoyl)-, isobutyl ester.
Sources
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