- InChI
- InChI=1S/C17H29BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-20-17(19)14-13-15-18/h2-10,13-16H2,1H3
- InChI Key
- ZCXNXCUNLMZUKZ-UHFFFAOYSA-N
- Formula
- C17H29BrO2
- SMILES
- CCCCCCCCCCC#CCOC(=O)CCCBr
- Molecular Weight1
- 345.31
- ω : Acentric Factor.
- 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).
- 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 | 0.8473 | Relay (1.0) Calculated Property | |
| ΔfG° | 75.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -436.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.239 | Crippen Calculated Property | |
| McVol | 266.730 | ml/mol | McGowan Calculated Property |
| Pc | 1508.15 | kPa | Joback Calculated Property |
| Inp | [2213.00; 2213.00] |
|
|
| Inp | 2213.00 | NIST | |
| Inp | 2213.00 | NIST | |
| Tboil | 599.49 | K | Relay (1.0) Calculated Property |
| Tc | 793.26 | K | Relay (1.0) Calculated Property |
| Tfus | 287.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.967 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [739.66; 827.28] | J/mol×K | [739.81; 931.60] |
|
| Cp,gas | 739.66 | J/mol×K | 739.81 | Joback Calculated Property |
| Cp,gas | 756.34 | J/mol×K | 771.78 | Joback Calculated Property |
| Cp,gas | 772.16 | J/mol×K | 803.74 | Joback Calculated Property |
| Cp,gas | 787.14 | J/mol×K | 835.71 | Joback Calculated Property |
| Cp,gas | 801.30 | J/mol×K | 867.67 | Joback Calculated Property |
| Cp,gas | 814.67 | J/mol×K | 899.64 | Joback Calculated Property |
| Cp,gas | 827.28 | J/mol×K | 931.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromobutanoic acid, tridec-2-ynyl ester.
Sources
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