- InChI
- InChI=1S/C11H12O4/c1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10/h3-7,11H,1-2H3
- InChI Key
- XRYSDRCNTMEYFH-UHFFFAOYSA-N
- Formula
- C11H12O4
- SMILES
- CC(=O)OC(OC(C)=O)c1ccccc1
- Molecular Weight1
- 208.21
- CAS
- 581-55-5
- Other Names
-
- Methanediol, phenyl-, diacetate
- Phenylmethanediol diacetate
- Benzylidene diacetate
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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 |
|---|---|---|---|
| ΔcH°solid | -5270.56 ± 0.57 | kJ/mol | NIST |
| ΔfG° | -316.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -676.85 ± 0.99 | kJ/mol | NIST |
| ΔfH°solid | -773.02 ± 0.57 | kJ/mol | NIST |
| ΔfusH° | 20.34 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [96.17; 96.20] | kJ/mol |
|
| ΔsubH° | 96.17 ± 0.84 | kJ/mol | NIST |
| ΔsubH° | 96.20 | kJ/mol | NIST |
| ΔvapH° | 60.28 | kJ/mol | Joback Calculated Property |
| log10WS | -2.21 | Crippen Calculated Property | |
| logPoct/wat | 1.811 | Crippen Calculated Property | |
| McVol | 156.970 | ml/mol | McGowan Calculated Property |
| Pc | 2944.08 | kPa | Joback Calculated Property |
| Inp | [1321.00; 1322.30] |
|
|
| Inp | 1321.00 | NIST | |
| Inp | 1322.30 | NIST | |
| Inp | 1321.00 | NIST | |
| Tboil | 629.90 | K | Joback Calculated Property |
| Tc | 848.60 | K | Joback Calculated Property |
| Tfus | 369.47 | K | Joback Calculated Property |
| Vc | 0.586 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [388.35; 454.98] | J/mol×K | [629.90; 848.60] |
|
| Cp,gas | 388.35 | J/mol×K | 629.90 | Joback Calculated Property |
| Cp,gas | 401.53 | J/mol×K | 666.35 | Joback Calculated Property |
| Cp,gas | 413.88 | J/mol×K | 702.80 | Joback Calculated Property |
| Cp,gas | 425.39 | J/mol×K | 739.25 | Joback Calculated Property |
| Cp,gas | 436.08 | J/mol×K | 775.70 | Joback Calculated Property |
| Cp,gas | 445.94 | J/mol×K | 812.15 | Joback Calculated Property |
| Cp,gas | 454.98 | J/mol×K | 848.60 | Joback Calculated Property |
| η | [0.0001561; 0.0017390] | Pa×s | [369.47; 629.90] |
|
| η | 0.0017390 | Pa×s | 369.47 | Joback Calculated Property |
| η | 0.0009421 | Pa×s | 412.88 | Joback Calculated Property |
| η | 0.0005736 | Pa×s | 456.28 | Joback Calculated Property |
| η | 0.0003806 | Pa×s | 499.69 | Joback Calculated Property |
| η | 0.0002697 | Pa×s | 543.09 | Joback Calculated Property |
| η | 0.0002011 | Pa×s | 586.50 | Joback Calculated Property |
| η | 0.0001561 | Pa×s | 629.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzal diacetate.
Sources
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