- InChI
- InChI=1S/C20H27BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-17-23-20(22)18-13-15-19(21)16-14-18/h13-16H,2-10,17H2,1H3
- InChI Key
- PHBTXXYCGWEFDW-UHFFFAOYSA-N
- Formula
- C20H27BrO2
- SMILES
-
CCCCCCCCCCC#CCOC(=O)c1ccc(Br)c
c1 - Molecular Weight1
- 379.33
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | 203.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -177.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.80 | kJ/mol | Joback Calculated Property |
| log10WS | -7.69 | Crippen Calculated Property | |
| logPoct/wat | 6.140 | Crippen Calculated Property | |
| McVol | 285.240 | ml/mol | McGowan Calculated Property |
| Pc | 1541.49 | kPa | Joback Calculated Property |
| Inp | 2503.00 | NIST | |
| Tboil | 840.11 | K | Joback Calculated Property |
| Tc | 1056.05 | K | Joback Calculated Property |
| Tfus | 592.16 | K | Joback Calculated Property |
| Vc | 1.095 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [821.60; 902.86] | J/mol×K | [840.11; 1056.05] | 
|
| Cp,gas | 821.60 | J/mol×K | 840.11 | Joback Calculated Property |
| Cp,gas | 837.65 | J/mol×K | 876.10 | Joback Calculated Property |
| Cp,gas | 852.64 | J/mol×K | 912.09 | Joback Calculated Property |
| Cp,gas | 866.61 | J/mol×K | 948.08 | Joback Calculated Property |
| Cp,gas | 879.60 | J/mol×K | 984.07 | Joback Calculated Property |
| Cp,gas | 891.67 | J/mol×K | 1020.06 | Joback Calculated Property |
| Cp,gas | 902.86 | J/mol×K | 1056.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromobenzoic acid, tridec-2-ynyl ester.
Sources
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