- InChI
- InChI=1S/C19H37BrO2/c1-3-4-5-6-7-8-9-10-11-12-15-18(2)22-19(21)16-13-14-17-20/h18H,3-17H2,1-2H3
- InChI Key
- KSHYDCLMJWNABI-UHFFFAOYSA-N
- Formula
- C19H37BrO2
- SMILES
- CCCCCCCCCCCCC(C)OC(=O)CCCCBr
- Molecular Weight1
- 377.40
- 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° | -112.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -659.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.09 | kJ/mol | Joback Calculated Property |
| log10WS | -7.18 | Crippen Calculated Property | |
| logPoct/wat | 6.794 | Crippen Calculated Property | |
| McVol | 303.510 | ml/mol | McGowan Calculated Property |
| Pc | 1173.63 | kPa | Joback Calculated Property |
| Inp | [2322.00; 2322.00] |
|
|
| Inp | 2322.00 | NIST | |
| Inp | 2322.00 | NIST | |
| Tboil | 776.13 | K | Joback Calculated Property |
| Tc | 958.94 | K | Joback Calculated Property |
| Tfus | 420.85 | K | Joback Calculated Property |
| Vc | 1.179 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [903.57; 999.32] | J/mol×K | [776.13; 958.94] |
|
| Cp,gas | 903.57 | J/mol×K | 776.13 | Joback Calculated Property |
| Cp,gas | 921.78 | J/mol×K | 806.60 | Joback Calculated Property |
| Cp,gas | 939.05 | J/mol×K | 837.07 | Joback Calculated Property |
| Cp,gas | 955.40 | J/mol×K | 867.54 | Joback Calculated Property |
| Cp,gas | 970.88 | J/mol×K | 898.01 | Joback Calculated Property |
| Cp,gas | 985.51 | J/mol×K | 928.48 | Joback Calculated Property |
| Cp,gas | 999.32 | J/mol×K | 958.94 | Joback Calculated Property |
| η | [0.0000623; 0.0012961] | Pa×s | [420.85; 776.13] |
|
| η | 0.0012961 | Pa×s | 420.85 | Joback Calculated Property |
| η | 0.0005721 | Pa×s | 480.06 | Joback Calculated Property |
| η | 0.0003022 | Pa×s | 539.28 | Joback Calculated Property |
| η | 0.0001811 | Pa×s | 598.49 | Joback Calculated Property |
| η | 0.0001190 | Pa×s | 657.70 | Joback Calculated Property |
| η | 0.0000838 | Pa×s | 716.92 | Joback Calculated Property |
| η | 0.0000623 | Pa×s | 776.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromovaleric acid, 2-tetradecyl ester.
Sources
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