- InChI
- InChI=1S/C28H24O3/c29-28(31-21-23-14-6-2-7-15-23)27(24-16-8-3-9-17-24)25-18-10-11-19-26(25)30-20-22-12-4-1-5-13-22/h1-19,27H,20-21H2
- InChI Key
- CSTXHOUFYJFFBP-UHFFFAOYSA-N
- Formula
- C28H24O3
- SMILES
-
O=C(OCc1ccccc1)C(c1ccccc1)c1cc
ccc1OCc1ccccc1 - Molecular Weight1
- 408.49
- CAS
- 116296-22-1
- 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).
- 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 | 0.7934 | Relay (1.0) Calculated Property | |
| ΔfG° | 283.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -84.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.141 | Crippen Calculated Property | |
| McVol | 323.650 | ml/mol | McGowan Calculated Property |
| Pc | 1525.88 | kPa | Joback Calculated Property |
| Tboil | 737.72 | K | Relay (1.0) Calculated Property |
| Tc | 1088.13 | K | Relay (1.0) Calculated Property |
| Tfus | 369.21 | K | Relay (1.0) Calculated Property |
| Vc | 1.150 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1029.17; 1081.46] | J/mol×K | [1050.01; 1312.41] | 
|
| Cp,gas | 1029.17 | J/mol×K | 1050.01 | Joback Calculated Property |
| Cp,gas | 1041.25 | J/mol×K | 1093.74 | Joback Calculated Property |
| Cp,gas | 1051.80 | J/mol×K | 1137.48 | Joback Calculated Property |
| Cp,gas | 1060.95 | J/mol×K | 1181.21 | Joback Calculated Property |
| Cp,gas | 1068.85 | J/mol×K | 1224.94 | Joback Calculated Property |
| Cp,gas | 1075.64 | J/mol×K | 1268.68 | Joback Calculated Property |
| Cp,gas | 1081.46 | J/mol×K | 1312.41 | Joback Calculated Property |
| η | [0.0000182; 0.0002249] | Pa×s | [602.91; 1050.01] |
|
| η | 0.0002249 | Pa×s | 602.91 | Joback Calculated Property |
| η | 0.0001175 | Pa×s | 677.43 | Joback Calculated Property |
| η | 0.0000698 | Pa×s | 751.94 | Joback Calculated Property |
| η | 0.0000456 | Pa×s | 826.46 | Joback Calculated Property |
| η | 0.0000319 | Pa×s | 900.98 | Joback Calculated Property |
| η | 0.0000236 | Pa×s | 975.49 | Joback Calculated Property |
| η | 0.0000182 | Pa×s | 1050.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid. (o-benzyloxyphenyl)phenyl-, benzyl ester.
Sources
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