- InChI
- InChI=1S/C16H22N2O5/c1-3-4-5-6-11-23-15(19)12-17(2)16(20)13-7-9-14(10-8-13)18(21)22/h7-10H,3-6,11-12H2,1-2H3
- InChI Key
- PYUHYYKSGMOBEY-UHFFFAOYSA-N
- Formula
- C16H22N2O5
- SMILES
-
CCCCCCOC(=O)CN(C)C(=O)c1ccc([N
+](=O)[O-])cc1 - Molecular Weight1
- 322.36
- 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 | 0.9498 | Relay (1.0) Calculated Property | |
| ΔfG° | -29.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -529.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.790 | Crippen Calculated Property | |
| McVol | 248.950 | ml/mol | McGowan Calculated Property |
| Pc | 1859.51 | kPa | Joback Calculated Property |
| Inp | [2622.00; 2622.00] |
|
|
| Inp | 2622.00 | NIST | |
| Inp | 2622.00 | NIST | |
| Tboil | 631.49 | K | Relay (1.0) Calculated Property |
| Tc | 885.36 | K | Relay (1.0) Calculated Property |
| Tfus | 334.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.902 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [769.73; 830.78] | J/mol×K | [891.58; 1113.22] |
|
| Cp,gas | 769.73 | J/mol×K | 891.58 | Joback Calculated Property |
| Cp,gas | 782.44 | J/mol×K | 928.52 | Joback Calculated Property |
| Cp,gas | 794.07 | J/mol×K | 965.46 | Joback Calculated Property |
| Cp,gas | 804.67 | J/mol×K | 1002.40 | Joback Calculated Property |
| Cp,gas | 814.29 | J/mol×K | 1039.34 | Joback Calculated Property |
| Cp,gas | 822.98 | J/mol×K | 1076.28 | Joback Calculated Property |
| Cp,gas | 830.78 | J/mol×K | 1113.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(4-nitrobenzoyl)-, hexyl ester.
Sources
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