- InChI
- InChI=1S/C17H24N2O5/c1-3-4-5-6-7-12-24-16(20)13-18(2)17(21)14-8-10-15(11-9-14)19(22)23/h8-11H,3-7,12-13H2,1-2H3
- InChI Key
- LQCHYZDWIDKALS-UHFFFAOYSA-N
- Formula
- C17H24N2O5
- SMILES
-
CCCCCCCOC(=O)CN(C)C(=O)c1ccc([
N+](=O)[O-])cc1 - Molecular Weight1
- 336.38
- 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 | 0.9905 | Relay (1.0) Calculated Property | |
| ΔfG° | -21.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -551.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.180 | Crippen Calculated Property | |
| McVol | 263.040 | ml/mol | McGowan Calculated Property |
| Pc | 1714.61 | kPa | Joback Calculated Property |
| Inp | [2720.00; 2720.00] |
|
|
| Inp | 2720.00 | NIST | |
| Inp | 2720.00 | NIST | |
| Tboil | 639.16 | K | Relay (1.0) Calculated Property |
| Tc | 893.58 | K | Relay (1.0) Calculated Property |
| Tfus | 334.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.956 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [827.31; 889.33] | J/mol×K | [914.46; 1135.53] |
|
| Cp,gas | 827.31 | J/mol×K | 914.46 | Joback Calculated Property |
| Cp,gas | 840.22 | J/mol×K | 951.31 | Joback Calculated Property |
| Cp,gas | 852.03 | J/mol×K | 988.15 | Joback Calculated Property |
| Cp,gas | 862.80 | J/mol×K | 1025.00 | Joback Calculated Property |
| Cp,gas | 872.57 | J/mol×K | 1061.84 | Joback Calculated Property |
| Cp,gas | 881.39 | J/mol×K | 1098.69 | Joback Calculated Property |
| Cp,gas | 889.33 | J/mol×K | 1135.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(4-nitrobenzoyl)-, heptyl ester.
Sources
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