- InChI
- InChI=1S/C19H22O2/c1-4-5-6-16-7-9-17(10-8-16)19(20)21-18-12-14(2)11-15(3)13-18/h7-13H,4-6H2,1-3H3
- InChI Key
- XASPIHMVPNXWQD-UHFFFAOYSA-N
- Formula
- C19H22O2
- SMILES
-
CCCCc1ccc(C(=O)Oc2cc(C)cc(C)c2
)cc1 - Molecular Weight1
- 282.38
- 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).
- 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° | 71.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -241.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.58 | kJ/mol | Joback Calculated Property |
| log10WS | -6.15 | Crippen Calculated Property | |
| logPoct/wat | 4.865 | Crippen Calculated Property | |
| McVol | 238.490 | ml/mol | McGowan Calculated Property |
| Pc | 1766.90 | kPa | Joback Calculated Property |
| Inp | [2291.00; 2291.00] |
|
|
| Inp | 2291.00 | NIST | |
| Inp | 2291.00 | NIST | |
| Tboil | 778.71 | K | Joback Calculated Property |
| Tc | 1002.35 | K | Joback Calculated Property |
| Tfus | 466.45 | K | Joback Calculated Property |
| Vc | 0.907 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [679.82; 761.56] | J/mol×K | [778.71; 1002.35] |
|
| Cp,gas | 679.82 | J/mol×K | 778.71 | Joback Calculated Property |
| Cp,gas | 696.29 | J/mol×K | 815.98 | Joback Calculated Property |
| Cp,gas | 711.58 | J/mol×K | 853.26 | Joback Calculated Property |
| Cp,gas | 725.70 | J/mol×K | 890.53 | Joback Calculated Property |
| Cp,gas | 738.72 | J/mol×K | 927.80 | Joback Calculated Property |
| Cp,gas | 750.66 | J/mol×K | 965.07 | Joback Calculated Property |
| Cp,gas | 761.56 | J/mol×K | 1002.35 | Joback Calculated Property |
| η | [0.0000874; 0.0006765] | Pa×s | [466.45; 778.71] |
|
| η | 0.0006765 | Pa×s | 466.45 | Joback Calculated Property |
| η | 0.0004053 | Pa×s | 518.49 | Joback Calculated Property |
| η | 0.0002666 | Pa×s | 570.54 | Joback Calculated Property |
| η | 0.0001881 | Pa×s | 622.58 | Joback Calculated Property |
| η | 0.0001400 | Pa×s | 674.62 | Joback Calculated Property |
| η | 0.0001088 | Pa×s | 726.67 | Joback Calculated Property |
| η | 0.0000874 | Pa×s | 778.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 3,5-dimethylphenyl ester.
Sources
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