- InChI
- InChI=1S/C19H36Br2O2/c1-3-4-5-6-8-11-14-17(20)18(21)15-12-9-7-10-13-16-19(22)23-2/h17-18H,3-16H2,1-2H3
- InChI Key
- QNMTXFWVHQDSNR-UHFFFAOYSA-N
- Formula
- C19H36Br2O2
- SMILES
-
CCCCCCCCC(Br)C(Br)CCCCCCCC(=O)
OC - Molecular Weight1
- 456.30
- CAS
- 25456-04-6
- Other Names
-
- Methyl 9,10-dibromostearate
- 9,10-Dibromostearic acid methyl ester
- Methyl 9,10-dibromooctadecanoate
- 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).
- 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° | -101.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -638.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.14 | kJ/mol | Joback Calculated Property |
| log10WS | -7.73 | Crippen Calculated Property | |
| logPoct/wat | 7.168 | Crippen Calculated Property | |
| McVol | 321.010 | ml/mol | McGowan Calculated Property |
| Pc | 1238.09 | kPa | Joback Calculated Property |
| Tboil | 841.85 | K | Joback Calculated Property |
| Tc | 1037.90 | K | Joback Calculated Property |
| Tfus | 465.65 | K | Joback Calculated Property |
| Vc | 1.236 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [952.48; 1041.01] | J/mol×K | [841.85; 1037.90] | 
|
| Cp,gas | 952.48 | J/mol×K | 841.85 | Joback Calculated Property |
| Cp,gas | 969.52 | J/mol×K | 874.53 | Joback Calculated Property |
| Cp,gas | 985.59 | J/mol×K | 907.20 | Joback Calculated Property |
| Cp,gas | 1000.72 | J/mol×K | 939.88 | Joback Calculated Property |
| Cp,gas | 1014.97 | J/mol×K | 972.55 | Joback Calculated Property |
| Cp,gas | 1028.39 | J/mol×K | 1005.23 | Joback Calculated Property |
| Cp,gas | 1041.01 | J/mol×K | 1037.90 | Joback Calculated Property |
| η | [0.0000435; 0.0008625] | Pa×s | [465.65; 841.85] |
|
| η | 0.0008625 | Pa×s | 465.65 | Joback Calculated Property |
| η | 0.0003901 | Pa×s | 528.35 | Joback Calculated Property |
| η | 0.0002088 | Pa×s | 591.05 | Joback Calculated Property |
| η | 0.0001260 | Pa×s | 653.75 | Joback Calculated Property |
| η | 0.0000831 | Pa×s | 716.45 | Joback Calculated Property |
| η | 0.0000586 | Pa×s | 779.15 | Joback Calculated Property |
| η | 0.0000435 | Pa×s | 841.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octadecanoic acid, 9,10-dibromo-, methyl ester.
Sources
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