- InChI
- InChI=1S/C23H34O2/c1-3-5-7-8-9-10-11-12-13-14-20-25-23(24)22-18-16-21(17-19-22)15-6-4-2/h16-19H,3-4,6,8-15,20H2,1-2H3
- InChI Key
- FRMKCYYFFDURBJ-UHFFFAOYSA-N
- Formula
- C23H34O2
- SMILES
-
CCC#CCCCCCCCCOC(=O)c1ccc(CCCC)
cc1 - Molecular Weight1
- 342.51
- 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° | 214.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -265.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.04 | kJ/mol | Joback Calculated Property |
| log10WS | -7.75 | Crippen Calculated Property | |
| logPoct/wat | 6.330 | Crippen Calculated Property | |
| McVol | 310.010 | ml/mol | McGowan Calculated Property |
| Pc | 1185.79 | kPa | Joback Calculated Property |
| Inp | [2522.50; 2522.50] |
|
|
| Inp | 2522.50 | NIST | |
| Inp | 2522.50 | NIST | |
| Tboil | 842.59 | K | Joback Calculated Property |
| Tc | 1046.31 | K | Joback Calculated Property |
| Tfus | 566.17 | K | Joback Calculated Property |
| Vc | 1.202 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [955.57; 1048.58] | J/mol×K | [842.59; 1046.31] |
|
| Cp,gas | 955.57 | J/mol×K | 842.59 | Joback Calculated Property |
| Cp,gas | 973.82 | J/mol×K | 876.54 | Joback Calculated Property |
| Cp,gas | 990.92 | J/mol×K | 910.50 | Joback Calculated Property |
| Cp,gas | 1006.90 | J/mol×K | 944.45 | Joback Calculated Property |
| Cp,gas | 1021.81 | J/mol×K | 978.41 | Joback Calculated Property |
| Cp,gas | 1035.69 | J/mol×K | 1012.36 | Joback Calculated Property |
| Cp,gas | 1048.58 | J/mol×K | 1046.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, dodec-9-ynyl ester.
Sources
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