- InChI
- InChI=1S/C16H24O3/c1-4-6-10-18-15-9-8-14(12-13(15)3)16(17)19-11-7-5-2/h8-9,12H,4-7,10-11H2,1-3H3
- InChI Key
- NSHTUZAELSBODY-UHFFFAOYSA-N
- Formula
- C16H24O3
- SMILES
- CCCCOC(=O)c1ccc(OCCCC)c(C)c1
- Molecular Weight1
- 264.36
- Other Names
-
- Butyl 4-butoxy-3-methylbenzoate
- 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° | -161.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -537.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.38 | kJ/mol | Joback Calculated Property |
| log10WS | -4.82 | Crippen Calculated Property | |
| logPoct/wat | 4.131 | Crippen Calculated Property | |
| McVol | 225.850 | ml/mol | McGowan Calculated Property |
| Pc | 1701.90 | kPa | Joback Calculated Property |
| Inp | 2032.00 | NIST | |
| Tboil | 700.83 | K | Joback Calculated Property |
| Tc | 896.69 | K | Joback Calculated Property |
| Tfus | 415.93 | K | Joback Calculated Property |
| Vc | 0.866 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [627.88; 713.61] | J/mol×K | [700.83; 896.69] | 
|
| Cp,gas | 627.88 | J/mol×K | 700.83 | Joback Calculated Property |
| Cp,gas | 644.40 | J/mol×K | 733.47 | Joback Calculated Property |
| Cp,gas | 660.01 | J/mol×K | 766.12 | Joback Calculated Property |
| Cp,gas | 674.73 | J/mol×K | 798.76 | Joback Calculated Property |
| Cp,gas | 688.57 | J/mol×K | 831.40 | Joback Calculated Property |
| Cp,gas | 701.53 | J/mol×K | 864.05 | Joback Calculated Property |
| Cp,gas | 713.61 | J/mol×K | 896.69 | Joback Calculated Property |
| η | [0.0000938; 0.0008365] | Pa×s | [415.93; 700.83] |
|
| η | 0.0008365 | Pa×s | 415.93 | Joback Calculated Property |
| η | 0.0004819 | Pa×s | 463.41 | Joback Calculated Property |
| η | 0.0003076 | Pa×s | 510.90 | Joback Calculated Property |
| η | 0.0002119 | Pa×s | 558.38 | Joback Calculated Property |
| η | 0.0001548 | Pa×s | 605.86 | Joback Calculated Property |
| η | 0.0001184 | Pa×s | 653.35 | Joback Calculated Property |
| η | 0.0000938 | Pa×s | 700.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butyloxy-3-methylbenzoic acid, butyl ester.
Sources
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