- InChI
- InChI=1S/C24H36O2/c1-3-5-7-8-9-10-11-12-13-14-15-21-26-24(25)23-19-17-22(18-20-23)16-6-4-2/h17-20H,3-13,16,21H2,1-2H3
- InChI Key
- FNYBMLUZFCIXFZ-UHFFFAOYSA-N
- Formula
- C24H36O2
- SMILES
-
CCCCCCCCCCC#CCOC(=O)c1ccc(CCCC
)cc1 - Molecular Weight1
- 356.54
- 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° | 222.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.26 | kJ/mol | Joback Calculated Property |
| log10WS | -8.17 | Crippen Calculated Property | |
| logPoct/wat | 6.720 | Crippen Calculated Property | |
| McVol | 324.100 | ml/mol | McGowan Calculated Property |
| Pc | 1111.11 | kPa | Joback Calculated Property |
| Inp | 2685.40 | NIST | |
| Tboil | 865.47 | K | Joback Calculated Property |
| Tc | 1069.81 | K | Joback Calculated Property |
| Tfus | 577.44 | K | Joback Calculated Property |
| Vc | 1.258 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1016.28; 1109.98] | J/mol×K | [865.47; 1069.81] | 
|
| Cp,gas | 1016.28 | J/mol×K | 865.47 | Joback Calculated Property |
| Cp,gas | 1034.71 | J/mol×K | 899.53 | Joback Calculated Property |
| Cp,gas | 1051.95 | J/mol×K | 933.58 | Joback Calculated Property |
| Cp,gas | 1068.06 | J/mol×K | 967.64 | Joback Calculated Property |
| Cp,gas | 1083.07 | J/mol×K | 1001.70 | Joback Calculated Property |
| Cp,gas | 1097.03 | J/mol×K | 1035.76 | Joback Calculated Property |
| Cp,gas | 1109.98 | J/mol×K | 1069.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, tridec-2-ynyl ester.
Sources
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