- InChI
- InChI=1S/C7H11BrO2/c1-2-10-6(9)7(8)4-3-5-7/h2-5H2,1H3
- InChI Key
- UTVNSHXHFRIXMM-UHFFFAOYSA-N
- Formula
- C7H11BrO2
- SMILES
- CCOC(=O)C1(Br)CCC1
- Molecular Weight1
- 207.06
- CAS
- 35120-18-4
- Other Names
-
- Cyclobutanecarboxylic acid, 1-bromo-, ethyl ester
- Ethyl 1-bromocyclobutanecarboxylate
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -168.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -324.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.70 | kJ/mol | Joback Calculated Property |
| log10WS | -2.05 | Crippen Calculated Property | |
| logPoct/wat | 1.867 | Crippen Calculated Property | |
| McVol | 123.570 | ml/mol | McGowan Calculated Property |
| Pc | 4031.24 | kPa | Joback Calculated Property |
| Tboil | 513.26 | K | Joback Calculated Property |
| Tc | 737.17 | K | Joback Calculated Property |
| Tfus | 338.93 | K | Joback Calculated Property |
| Vc | 0.461 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [261.27; 323.48] | J/mol×K | [513.26; 737.17] | 
|
| Cp,gas | 261.27 | J/mol×K | 513.26 | Joback Calculated Property |
| Cp,gas | 273.50 | J/mol×K | 550.58 | Joback Calculated Property |
| Cp,gas | 284.81 | J/mol×K | 587.90 | Joback Calculated Property |
| Cp,gas | 295.34 | J/mol×K | 625.21 | Joback Calculated Property |
| Cp,gas | 305.21 | J/mol×K | 662.53 | Joback Calculated Property |
| Cp,gas | 314.55 | J/mol×K | 699.85 | Joback Calculated Property |
| Cp,gas | 323.48 | J/mol×K | 737.17 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 359.70 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to Ethyl «alpha»-bromocyclobutanecarboxylate.
Sources
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