- InChI
- InChI=1S/C13H16O4/c1-3-4-9-16-13(15)11-5-7-12(8-6-11)17-10(2)14/h5-8H,3-4,9H2,1-2H3
- InChI Key
- MYCRBPXYIRYAON-UHFFFAOYSA-N
- Formula
- C13H16O4
- SMILES
- CCCCOC(=O)c1ccc(OC(C)=O)cc1
- Molecular Weight1
- 236.26
- 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° | -306.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -576.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.78 | kJ/mol | Joback Calculated Property |
| log10WS | -3.28 | Crippen Calculated Property | |
| logPoct/wat | 2.569 | Crippen Calculated Property | |
| McVol | 185.150 | ml/mol | McGowan Calculated Property |
| Pc | 2361.07 | kPa | Joback Calculated Property |
| Inp | [1767.00; 1767.00] |
|
|
| Inp | 1767.00 | NIST | |
| Inp | 1767.00 | NIST | |
| Tboil | 681.08 | K | Joback Calculated Property |
| Tc | 889.77 | K | Joback Calculated Property |
| Tfus | 419.53 | K | Joback Calculated Property |
| Vc | 0.704 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [487.57; 558.29] | J/mol×K | [681.08; 889.77] |
|
| Cp,gas | 487.57 | J/mol×K | 681.08 | Joback Calculated Property |
| Cp,gas | 501.48 | J/mol×K | 715.86 | Joback Calculated Property |
| Cp,gas | 514.53 | J/mol×K | 750.64 | Joback Calculated Property |
| Cp,gas | 526.74 | J/mol×K | 785.42 | Joback Calculated Property |
| Cp,gas | 538.09 | J/mol×K | 820.20 | Joback Calculated Property |
| Cp,gas | 548.61 | J/mol×K | 854.99 | Joback Calculated Property |
| Cp,gas | 558.29 | J/mol×K | 889.77 | Joback Calculated Property |
| η | [0.0001337; 0.0010519] | Pa×s | [419.53; 681.08] |
|
| η | 0.0010519 | Pa×s | 419.53 | Joback Calculated Property |
| η | 0.0006345 | Pa×s | 463.12 | Joback Calculated Property |
| η | 0.0004175 | Pa×s | 506.71 | Joback Calculated Property |
| η | 0.0002935 | Pa×s | 550.30 | Joback Calculated Property |
| η | 0.0002173 | Pa×s | 593.90 | Joback Calculated Property |
| η | 0.0001677 | Pa×s | 637.49 | Joback Calculated Property |
| η | 0.0001337 | Pa×s | 681.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyl 4-acetoxybenzoate.
Sources
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