- InChI
- InChI=1S/C21H20O2/c1-2-3-6-16-9-11-18(12-10-16)21(22)23-20-14-13-17-7-4-5-8-19(17)15-20/h4-5,7-15H,2-3,6H2,1H3
- InChI Key
- DIGPSVUCITZYQS-UHFFFAOYSA-N
- Formula
- C21H20O2
- SMILES
-
CCCCc1ccc(C(=O)Oc2ccc3ccccc3c2
)cc1 - Molecular Weight1
- 304.38
- 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 | 0.8081 | Relay (1.0) Calculated Property | |
| ΔfG° | 127.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -174.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.402 | Crippen Calculated Property | |
| McVol | 247.210 | ml/mol | McGowan Calculated Property |
| Pc | 1807.70 | kPa | Joback Calculated Property |
| Inp | [2710.00; 2710.00] |
|
|
| Inp | 2710.00 | NIST | |
| Inp | 2710.00 | NIST | |
| Tboil | 698.98 | K | Relay (1.0) Calculated Property |
| Tc | 971.96 | K | Relay (1.0) Calculated Property |
| Tfus | 338.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.907 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [716.12; 791.92] | J/mol×K | [820.60; 1057.42] |
|
| Cp,gas | 716.12 | J/mol×K | 820.60 | Joback Calculated Property |
| Cp,gas | 731.61 | J/mol×K | 860.07 | Joback Calculated Property |
| Cp,gas | 745.82 | J/mol×K | 899.54 | Joback Calculated Property |
| Cp,gas | 758.86 | J/mol×K | 939.01 | Joback Calculated Property |
| Cp,gas | 770.83 | J/mol×K | 978.48 | Joback Calculated Property |
| Cp,gas | 781.81 | J/mol×K | 1017.95 | Joback Calculated Property |
| Cp,gas | 791.92 | J/mol×K | 1057.42 | Joback Calculated Property |
| η | [0.0001150; 0.0008787] | Pa×s | [479.34; 820.60] |
|
| η | 0.0008787 | Pa×s | 479.34 | Joback Calculated Property |
| η | 0.0005231 | Pa×s | 536.22 | Joback Calculated Property |
| η | 0.0003439 | Pa×s | 593.09 | Joback Calculated Property |
| η | 0.0002434 | Pa×s | 649.97 | Joback Calculated Property |
| η | 0.0001821 | Pa×s | 706.85 | Joback Calculated Property |
| η | 0.0001422 | Pa×s | 763.72 | Joback Calculated Property |
| η | 0.0001150 | Pa×s | 820.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 2-naphthyl ester.
Sources
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