- InChI
- InChI=1S/C24H40O2/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,3-16,21H2,1-2H3
- InChI Key
- NVRBFKXQEWUCOB-UHFFFAOYSA-N
- Formula
- C24H40O2
- SMILES
-
CCCCCCCCCCCCCOC(=O)c1ccc(CCCC)
cc1 - Molecular Weight1
- 360.58
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 1.0785 | Relay (1.0) Calculated Property | |
| ΔfG° | -56.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -626.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.497 | Crippen Calculated Property | |
| McVol | 332.700 | ml/mol | McGowan Calculated Property |
| Pc | 975.95 | kPa | Joback Calculated Property |
| Inp | 2671.80 | NIST | |
| Tboil | 654.63 | K | Relay (1.0) Calculated Property |
| Tc | 852.12 | K | Relay (1.0) Calculated Property |
| Tfus | 281.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.274 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1058.90; 1157.45] | J/mol×K | [838.60; 1031.43] | 
|
| Cp,gas | 1058.90 | J/mol×K | 838.60 | Joback Calculated Property |
| Cp,gas | 1078.18 | J/mol×K | 870.74 | Joback Calculated Property |
| Cp,gas | 1096.27 | J/mol×K | 902.88 | Joback Calculated Property |
| Cp,gas | 1113.19 | J/mol×K | 935.01 | Joback Calculated Property |
| Cp,gas | 1129.00 | J/mol×K | 967.15 | Joback Calculated Property |
| Cp,gas | 1143.74 | J/mol×K | 999.29 | Joback Calculated Property |
| Cp,gas | 1157.45 | J/mol×K | 1031.43 | Joback Calculated Property |
| η | [0.0000380; 0.0008908] | Pa×s | [441.51; 838.60] |
|
| η | 0.0008908 | Pa×s | 441.51 | Joback Calculated Property |
| η | 0.0003737 | Pa×s | 507.69 | Joback Calculated Property |
| η | 0.0001915 | Pa×s | 573.87 | Joback Calculated Property |
| η | 0.0001127 | Pa×s | 640.05 | Joback Calculated Property |
| η | 0.0000733 | Pa×s | 706.24 | Joback Calculated Property |
| η | 0.0000513 | Pa×s | 772.42 | Joback Calculated Property |
| η | 0.0000380 | Pa×s | 838.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, tridecyl ester.
Sources
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