- InChI
- InChI=1S/C18H20O2/c1-3-4-7-15-9-11-16(12-10-15)18(19)20-17-8-5-6-14(2)13-17/h5-6,8-13H,3-4,7H2,1-2H3
- InChI Key
- JRMTVKFNYIYFDG-UHFFFAOYSA-N
- Formula
- C18H20O2
- SMILES
-
CCCCc1ccc(C(=O)Oc2cccc(C)c2)cc
1 - Molecular Weight1
- 268.35
- 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° | 72.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -209.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.69 | kJ/mol | Joback Calculated Property |
| log10WS | -5.67 | Crippen Calculated Property | |
| logPoct/wat | 4.557 | Crippen Calculated Property | |
| McVol | 224.400 | ml/mol | McGowan Calculated Property |
| Pc | 1944.08 | kPa | Joback Calculated Property |
| Inp | [2182.00; 2182.00] |
|
|
| Inp | 2182.00 | NIST | |
| Inp | 2182.00 | NIST | |
| Tboil | 750.85 | K | Joback Calculated Property |
| Tc | 977.15 | K | Joback Calculated Property |
| Tfus | 442.66 | K | Joback Calculated Property |
| Vc | 0.852 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [625.01; 706.26] | J/mol×K | [750.85; 977.15] |
|
| Cp,gas | 625.01 | J/mol×K | 750.85 | Joback Calculated Property |
| Cp,gas | 641.41 | J/mol×K | 788.57 | Joback Calculated Property |
| Cp,gas | 656.60 | J/mol×K | 826.28 | Joback Calculated Property |
| Cp,gas | 670.63 | J/mol×K | 864.00 | Joback Calculated Property |
| Cp,gas | 683.56 | J/mol×K | 901.72 | Joback Calculated Property |
| Cp,gas | 695.42 | J/mol×K | 939.44 | Joback Calculated Property |
| Cp,gas | 706.26 | J/mol×K | 977.15 | Joback Calculated Property |
| η | [0.0000976; 0.0008527] | Pa×s | [442.66; 750.85] |
|
| η | 0.0008527 | Pa×s | 442.66 | Joback Calculated Property |
| η | 0.0004924 | Pa×s | 494.03 | Joback Calculated Property |
| η | 0.0003153 | Pa×s | 545.39 | Joback Calculated Property |
| η | 0.0002180 | Pa×s | 596.75 | Joback Calculated Property |
| η | 0.0001598 | Pa×s | 648.12 | Joback Calculated Property |
| η | 0.0001226 | Pa×s | 699.49 | Joback Calculated Property |
| η | 0.0000976 | Pa×s | 750.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 3-methylphenyl ester.
Sources
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