- InChI
- InChI=1S/C13H16O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h5-8,13H,4H2,1-3H3/t13-/m1/s1
- InChI Key
- UAWHZODFGAHJCC-CYBMUJFWSA-N
- Formula
- C13H16O4
- SMILES
- CCC(OC(C)=O)c1ccc(OC(C)=O)cc1
- Molecular Weight1
- 236.26
- CAS
- 61824-47-3
- 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 | 0.6606 | Relay (1.0) Calculated Property | |
| ΔfG° | -308.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -718.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.626 | Crippen Calculated Property | |
| McVol | 185.150 | ml/mol | McGowan Calculated Property |
| Pc | 2379.54 | kPa | Joback Calculated Property |
| Inp | [1656.50; 1656.50] |
|
|
| Inp | 1656.50 | NIST | |
| Inp | 1656.50 | NIST | |
| Tboil | 556.55 | K | Relay (1.0) Calculated Property |
| Tc | 755.19 | K | Relay (1.0) Calculated Property |
| Tfus | 322.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.670 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [488.10; 559.87] | J/mol×K | [680.64; 893.11] |
|
| Cp,gas | 488.10 | J/mol×K | 680.64 | Joback Calculated Property |
| Cp,gas | 502.29 | J/mol×K | 716.05 | Joback Calculated Property |
| Cp,gas | 515.58 | J/mol×K | 751.46 | Joback Calculated Property |
| Cp,gas | 527.98 | J/mol×K | 786.88 | Joback Calculated Property |
| Cp,gas | 539.49 | J/mol×K | 822.29 | Joback Calculated Property |
| Cp,gas | 550.12 | J/mol×K | 857.70 | Joback Calculated Property |
| Cp,gas | 559.87 | J/mol×K | 893.11 | Joback Calculated Property |
| η | [0.0001239; 0.0012327] | Pa×s | [404.53; 680.64] |
|
| η | 0.0012327 | Pa×s | 404.53 | Joback Calculated Property |
| η | 0.0006913 | Pa×s | 450.55 | Joback Calculated Property |
| η | 0.0004315 | Pa×s | 496.57 | Joback Calculated Property |
| η | 0.0002918 | Pa×s | 542.59 | Joback Calculated Property |
| η | 0.0002097 | Pa×s | 588.60 | Joback Calculated Property |
| η | 0.0001582 | Pa×s | 634.62 | Joback Calculated Property |
| η | 0.0001239 | Pa×s | 680.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (S)-1-(4-Acetoxyphenyl)propyl acetate.
Sources
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