- InChI
- InChI=1S/C16H31BrO2/c1-3-5-6-7-8-9-10-11-12-13-14-19-16(18)15(17)4-2/h15H,3-14H2,1-2H3
- InChI Key
- NXCHIIAWZIHPAX-UHFFFAOYSA-N
- Formula
- C16H31BrO2
- SMILES
- CCCCCCCCCCCCOC(=O)C(Br)CC
- Molecular Weight1
- 335.32
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -138.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -597.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.41 | kJ/mol | Joback Calculated Property |
| log10WS | -5.93 | Crippen Calculated Property | |
| logPoct/wat | 5.624 | Crippen Calculated Property | |
| McVol | 261.240 | ml/mol | McGowan Calculated Property |
| Pc | 1444.64 | kPa | Joback Calculated Property |
| Inp | [1999.00; 1999.00] |
|
|
| Inp | 1999.00 | NIST | |
| Inp | 1999.00 | NIST | |
| Tboil | 707.49 | K | Joback Calculated Property |
| Tc | 888.41 | K | Joback Calculated Property |
| Tfus | 387.04 | K | Joback Calculated Property |
| Vc | 1.012 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [729.06; 819.40] | J/mol×K | [707.49; 888.41] |
|
| Cp,gas | 729.06 | J/mol×K | 707.49 | Joback Calculated Property |
| Cp,gas | 746.14 | J/mol×K | 737.64 | Joback Calculated Property |
| Cp,gas | 762.37 | J/mol×K | 767.80 | Joback Calculated Property |
| Cp,gas | 777.79 | J/mol×K | 797.95 | Joback Calculated Property |
| Cp,gas | 792.42 | J/mol×K | 828.10 | Joback Calculated Property |
| Cp,gas | 806.28 | J/mol×K | 858.25 | Joback Calculated Property |
| Cp,gas | 819.40 | J/mol×K | 888.41 | Joback Calculated Property |
| η | [0.0000956; 0.0017995] | Pa×s | [387.04; 707.49] |
|
| η | 0.0017995 | Pa×s | 387.04 | Joback Calculated Property |
| η | 0.0008202 | Pa×s | 440.45 | Joback Calculated Property |
| η | 0.0004431 | Pa×s | 493.86 | Joback Calculated Property |
| η | 0.0002699 | Pa×s | 547.26 | Joback Calculated Property |
| η | 0.0001796 | Pa×s | 600.67 | Joback Calculated Property |
| η | 0.0001277 | Pa×s | 654.08 | Joback Calculated Property |
| η | 0.0000956 | Pa×s | 707.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dodecyl 2-bromobutanoate.
Sources
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