- InChI
- InChI=1S/C19H25BrO5/c1-23-17-12-15(20)10-11-16(17)25-19(22)9-5-8-18(21)24-13-14-6-3-2-4-7-14/h10-12,14H,2-9,13H2,1H3
- InChI Key
- NKHJBCUHKGIXIS-UHFFFAOYSA-N
- Formula
- C19H25BrO5
- SMILES
-
COc1cc(Br)ccc1OC(=O)CCCC(=O)OC
C1CCCCC1 - Molecular Weight1
- 413.30
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9015 | Relay (1.0) Calculated Property | |
| ΔfG° | -331.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -884.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.657 | Crippen Calculated Property | |
| McVol | 282.200 | ml/mol | McGowan Calculated Property |
| Pc | 1747.74 | kPa | Joback Calculated Property |
| Inp | 2873.00 | NIST | |
| Tboil | 699.49 | K | Relay (1.0) Calculated Property |
| Tc | 913.34 | K | Relay (1.0) Calculated Property |
| Tfus | 337.11 | K | Relay (1.0) Calculated Property |
| Vc | 1.006 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [879.33; 937.99] | J/mol×K | [931.47; 1162.04] | 
|
| Cp,gas | 879.33 | J/mol×K | 931.47 | Joback Calculated Property |
| Cp,gas | 893.02 | J/mol×K | 969.90 | Joback Calculated Property |
| Cp,gas | 905.12 | J/mol×K | 1008.33 | Joback Calculated Property |
| Cp,gas | 915.65 | J/mol×K | 1046.76 | Joback Calculated Property |
| Cp,gas | 924.63 | J/mol×K | 1085.19 | Joback Calculated Property |
| Cp,gas | 932.07 | J/mol×K | 1123.62 | Joback Calculated Property |
| Cp,gas | 937.99 | J/mol×K | 1162.04 | Joback Calculated Property |
| η | [0.0000388; 0.0003038] | Pa×s | [589.08; 931.47] |
|
| η | 0.0003038 | Pa×s | 589.08 | Joback Calculated Property |
| η | 0.0001853 | Pa×s | 646.14 | Joback Calculated Property |
| η | 0.0001225 | Pa×s | 703.21 | Joback Calculated Property |
| η | 0.0000861 | Pa×s | 760.27 | Joback Calculated Property |
| η | 0.0000636 | Pa×s | 817.34 | Joback Calculated Property |
| η | 0.0000489 | Pa×s | 874.40 | Joback Calculated Property |
| η | 0.0000388 | Pa×s | 931.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, cyclohexylmethyl 4-bromo-2-methoxyphenyl ester.
Sources
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