- InChI
- InChI=1S/C17H24BrNO3/c1-3-4-5-6-7-11-22-16(20)13-19(2)17(21)14-9-8-10-15(18)12-14/h8-10,12H,3-7,11,13H2,1-2H3
- InChI Key
- MQPZTDFSCCINQZ-UHFFFAOYSA-N
- Formula
- C17H24BrNO3
- SMILES
-
CCCCCCCOC(=O)CN(C)C(=O)c1cccc(
Br)c1 - Molecular Weight1
- 370.28
- 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 | 0.8605 | Relay (1.0) Calculated Property | |
| ΔfG° | -42.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -544.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.035 | Crippen Calculated Property | |
| McVol | 263.120 | ml/mol | McGowan Calculated Property |
| Pc | 1798.51 | kPa | Joback Calculated Property |
| Inp | [2563.00; 2563.00] |
|
|
| Inp | 2563.00 | NIST | |
| Inp | 2563.00 | NIST | |
| Tboil | 647.36 | K | Relay (1.0) Calculated Property |
| Tc | 860.13 | K | Relay (1.0) Calculated Property |
| Tfus | 305.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.952 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [757.69; 829.30] | J/mol×K | [828.78; 1038.74] |
|
| Cp,gas | 757.69 | J/mol×K | 828.78 | Joback Calculated Property |
| Cp,gas | 771.96 | J/mol×K | 863.77 | Joback Calculated Property |
| Cp,gas | 785.23 | J/mol×K | 898.77 | Joback Calculated Property |
| Cp,gas | 797.55 | J/mol×K | 933.76 | Joback Calculated Property |
| Cp,gas | 808.97 | J/mol×K | 968.75 | Joback Calculated Property |
| Cp,gas | 819.54 | J/mol×K | 1003.74 | Joback Calculated Property |
| Cp,gas | 829.30 | J/mol×K | 1038.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sarcosine, N-(3-bromobenzoyl)-, heptyl ester.
Sources
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