- InChI
- InChI=1S/C18H33BrO4/c1-4-16(15(2)3)23-18(21)12-10-11-17(20)22-14-9-7-5-6-8-13-19/h15-16H,4-14H2,1-3H3
- InChI Key
- BLLVRNOIAKPUJC-UHFFFAOYSA-N
- Formula
- C18H33BrO4
- SMILES
-
CCC(OC(=O)CCCC(=O)OCCCCCCCBr)C
(C)C - Molecular Weight1
- 393.36
- 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° | -357.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -888.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.63 | kJ/mol | Joback Calculated Property |
| log10WS | -5.38 | Crippen Calculated Property | |
| logPoct/wat | 5.023 | Crippen Calculated Property | |
| McVol | 296.860 | ml/mol | McGowan Calculated Property |
| Pc | 1304.23 | kPa | Joback Calculated Property |
| Inp | [2504.00; 2504.00] |
|
|
| Inp | 2504.00 | NIST | |
| Inp | 2504.00 | NIST | |
| Tboil | 829.10 | K | Joback Calculated Property |
| Tc | 1022.40 | K | Joback Calculated Property |
| Tfus | 466.74 | K | Joback Calculated Property |
| Vc | 1.141 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [898.14; 980.97] | J/mol×K | [829.10; 1022.40] |
|
| Cp,gas | 898.14 | J/mol×K | 829.10 | Joback Calculated Property |
| Cp,gas | 914.43 | J/mol×K | 861.32 | Joback Calculated Property |
| Cp,gas | 929.70 | J/mol×K | 893.53 | Joback Calculated Property |
| Cp,gas | 943.97 | J/mol×K | 925.75 | Joback Calculated Property |
| Cp,gas | 957.25 | J/mol×K | 957.96 | Joback Calculated Property |
| Cp,gas | 969.58 | J/mol×K | 990.18 | Joback Calculated Property |
| Cp,gas | 980.97 | J/mol×K | 1022.40 | Joback Calculated Property |
| η | [0.0000469; 0.0008566] | Pa×s | [466.74; 829.10] |
|
| η | 0.0008566 | Pa×s | 466.74 | Joback Calculated Property |
| η | 0.0004000 | Pa×s | 527.13 | Joback Calculated Property |
| η | 0.0002184 | Pa×s | 587.53 | Joback Calculated Property |
| η | 0.0001335 | Pa×s | 647.92 | Joback Calculated Property |
| η | 0.0000888 | Pa×s | 708.31 | Joback Calculated Property |
| η | 0.0000629 | Pa×s | 768.71 | Joback Calculated Property |
| η | 0.0000469 | Pa×s | 829.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 7-bromoheptyl 2-methylhex-3-yl ester.
Sources
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