- InChI
- InChI=1S/C16H16O3/c1-3-12-4-6-13(7-5-12)16(17)19-15-10-8-14(18-2)9-11-15/h4-11H,3H2,1-2H3
- InChI Key
- DDXFSUBRHKHUCB-UHFFFAOYSA-N
- Formula
- C16H16O3
- SMILES
- CCc1ccc(C(=O)Oc2ccc(OC)cc2)cc1
- Molecular Weight1
- 256.30
- 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 | 0.7333 | Relay (1.0) Calculated Property | |
| ΔfG° | -49.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -354.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.477 | Crippen Calculated Property | |
| McVol | 202.090 | ml/mol | McGowan Calculated Property |
| Pc | 2282.77 | kPa | Joback Calculated Property |
| Inp | [2132.00; 2132.00] |
|
|
| Inp | 2132.00 | NIST | |
| Inp | 2132.00 | NIST | |
| Tboil | 628.05 | K | Relay (1.0) Calculated Property |
| Tc | 862.26 | K | Relay (1.0) Calculated Property |
| Tfus | 334.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.742 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [543.43; 618.46] | J/mol×K | [727.51; 958.86] |
|
| Cp,gas | 543.43 | J/mol×K | 727.51 | Joback Calculated Property |
| Cp,gas | 558.78 | J/mol×K | 766.07 | Joback Calculated Property |
| Cp,gas | 572.96 | J/mol×K | 804.63 | Joback Calculated Property |
| Cp,gas | 586.00 | J/mol×K | 843.18 | Joback Calculated Property |
| Cp,gas | 597.92 | J/mol×K | 881.74 | Joback Calculated Property |
| Cp,gas | 608.73 | J/mol×K | 920.30 | Joback Calculated Property |
| Cp,gas | 618.46 | J/mol×K | 958.86 | Joback Calculated Property |
| η | [0.0000951; 0.0007122] | Pa×s | [442.35; 727.51] |
|
| η | 0.0007122 | Pa×s | 442.35 | Joback Calculated Property |
| η | 0.0004327 | Pa×s | 489.88 | Joback Calculated Property |
| η | 0.0002872 | Pa×s | 537.40 | Joback Calculated Property |
| η | 0.0002037 | Pa×s | 584.93 | Joback Calculated Property |
| η | 0.0001521 | Pa×s | 632.46 | Joback Calculated Property |
| η | 0.0001184 | Pa×s | 679.98 | Joback Calculated Property |
| η | 0.0000951 | Pa×s | 727.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylbenzoic acid, 4-methoxyphenyl ester.
Sources
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