- InChI
- InChI=1S/C19H29NO3/c1-3-4-5-6-10-15-23-19(22)16-20(2)18(21)14-13-17-11-8-7-9-12-17/h7-9,11-12H,3-6,10,13-16H2,1-2H3
- InChI Key
- NYKNLNYQYGKAJX-UHFFFAOYSA-N
- Formula
- C19H29NO3
- SMILES
-
CCCCCCCOC(=O)CN(C)C(=O)CCc1ccc
cc1 - Molecular Weight1
- 319.44
- 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 | 0.8866 | Relay (1.0) Calculated Property | |
| ΔfG° | -30.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -582.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.591 | Crippen Calculated Property | |
| McVol | 273.800 | ml/mol | McGowan Calculated Property |
| Pc | 1474.75 | kPa | Joback Calculated Property |
| Inp | 2513.00 | NIST | |
| Tboil | 633.50 | K | Relay (1.0) Calculated Property |
| Tc | 841.92 | K | Relay (1.0) Calculated Property |
| Tfus | 293.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.017 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [832.30; 915.94] | J/mol×K | [803.40; 1001.00] | 
|
| Cp,gas | 832.30 | J/mol×K | 803.40 | Joback Calculated Property |
| Cp,gas | 848.76 | J/mol×K | 836.33 | Joback Calculated Property |
| Cp,gas | 864.15 | J/mol×K | 869.27 | Joback Calculated Property |
| Cp,gas | 878.52 | J/mol×K | 902.20 | Joback Calculated Property |
| Cp,gas | 891.91 | J/mol×K | 935.13 | Joback Calculated Property |
| Cp,gas | 904.37 | J/mol×K | 968.07 | Joback Calculated Property |
| Cp,gas | 915.94 | J/mol×K | 1001.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(3-phenylpropionyl)-, heptyl ester.
Sources
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