- InChI
- InChI=1S/C18H25BrO5/c1-5-14(12(2)3)23-17(20)7-6-8-18(21)24-15-10-9-13(19)11-16(15)22-4/h9-12,14H,5-8H2,1-4H3
- InChI Key
- DIBPMOUNBJBMIX-UHFFFAOYSA-N
- Formula
- C18H25BrO5
- SMILES
-
CCC(OC(=O)CCCC(=O)Oc1ccc(Br)cc
1OC)C(C)C - Molecular Weight1
- 401.29
- 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° | -369.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -807.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.64 | kJ/mol | Joback Calculated Property |
| log10WS | -5.57 | Crippen Calculated Property | |
| logPoct/wat | 4.511 | Crippen Calculated Property | |
| McVol | 278.970 | ml/mol | McGowan Calculated Property |
| Pc | 1619.37 | kPa | Joback Calculated Property |
| Inp | [2520.00; 2520.00] |
|
|
| Inp | 2520.00 | NIST | |
| Inp | 2520.00 | NIST | |
| Tboil | 888.16 | K | Joback Calculated Property |
| Tc | 1103.86 | K | Joback Calculated Property |
| Tfus | 540.43 | K | Joback Calculated Property |
| Vc | 1.052 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [828.83; 891.95] | J/mol×K | [888.16; 1103.86] |
|
| Cp,gas | 828.83 | J/mol×K | 888.16 | Joback Calculated Property |
| Cp,gas | 842.42 | J/mol×K | 924.11 | Joback Calculated Property |
| Cp,gas | 854.77 | J/mol×K | 960.06 | Joback Calculated Property |
| Cp,gas | 865.89 | J/mol×K | 996.01 | Joback Calculated Property |
| Cp,gas | 875.78 | J/mol×K | 1031.96 | Joback Calculated Property |
| Cp,gas | 884.47 | J/mol×K | 1067.91 | Joback Calculated Property |
| Cp,gas | 891.95 | J/mol×K | 1103.86 | Joback Calculated Property |
| η | [0.0000365; 0.0003588] | Pa×s | [540.43; 888.16] |
|
| η | 0.0003588 | Pa×s | 540.43 | Joback Calculated Property |
| η | 0.0002038 | Pa×s | 598.38 | Joback Calculated Property |
| η | 0.0001279 | Pa×s | 656.34 | Joback Calculated Property |
| η | 0.0000866 | Pa×s | 714.29 | Joback Calculated Property |
| η | 0.0000622 | Pa×s | 772.25 | Joback Calculated Property |
| η | 0.0000468 | Pa×s | 830.20 | Joback Calculated Property |
| η | 0.0000365 | Pa×s | 888.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-methylpent-3-yl 4-bromo-2-methoxyphenyl ester.
Sources
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