- InChI
- InChI=1S/C19H28BrNO3/c1-3-4-5-6-7-8-9-13-24-18(22)15-21(2)19(23)16-11-10-12-17(20)14-16/h10-12,14H,3-9,13,15H2,1-2H3
- InChI Key
- QMBQQYUDQJCHAT-UHFFFAOYSA-N
- Formula
- C19H28BrNO3
- SMILES
-
CCCCCCCCCOC(=O)CN(C)C(=O)c1ccc
c(Br)c1 - Molecular Weight1
- 398.33
- 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 | 0.9408 | Relay (1.0) Calculated Property | |
| ΔfG° | -25.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -587.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.815 | Crippen Calculated Property | |
| McVol | 291.300 | ml/mol | McGowan Calculated Property |
| Pc | 1537.87 | kPa | Joback Calculated Property |
| Inp | [2786.00; 2786.00] |
|
|
| Inp | 2786.00 | NIST | |
| Inp | 2786.00 | NIST | |
| Tboil | 661.22 | K | Relay (1.0) Calculated Property |
| Tc | 875.22 | K | Relay (1.0) Calculated Property |
| Tfus | 309.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.062 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [873.20; 947.41] | J/mol×K | [874.54; 1083.90] |
|
| Cp,gas | 873.20 | J/mol×K | 874.54 | Joback Calculated Property |
| Cp,gas | 887.98 | J/mol×K | 909.43 | Joback Calculated Property |
| Cp,gas | 901.72 | J/mol×K | 944.33 | Joback Calculated Property |
| Cp,gas | 914.47 | J/mol×K | 979.22 | Joback Calculated Property |
| Cp,gas | 926.31 | J/mol×K | 1014.11 | Joback Calculated Property |
| Cp,gas | 937.27 | J/mol×K | 1049.01 | Joback Calculated Property |
| Cp,gas | 947.41 | J/mol×K | 1083.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(3-bromobenzoyl)-, nonyl ester.
Sources
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