- InChI
- InChI=1S/C14H16O4/c1-9(15)17-13-8-7-11-5-3-4-6-12(11)14(13)18-10(2)16/h3-6,13-14H,7-8H2,1-2H3/t13-,14-/m1/s1
- InChI Key
- PWDTYDXUIYVSGG-ZIAGYGMSSA-N
- Formula
- C14H16O4
- SMILES
- CC(=O)OC1CCc2ccccc2C1OC(C)=O
- Molecular Weight1
- 248.27
- 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° | -257.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -550.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.78 | kJ/mol | Joback Calculated Property |
| log10WS | -2.94 | Crippen Calculated Property | |
| logPoct/wat | 2.169 | Crippen Calculated Property | |
| McVol | 188.380 | ml/mol | McGowan Calculated Property |
| Pc | 2421.88 | kPa | Joback Calculated Property |
| Inp | [1705.00; 1705.00] |
|
|
| Inp | 1705.00 | NIST | |
| Inp | 1705.00 | NIST | |
| Tboil | 710.30 | K | Joback Calculated Property |
| Tc | 934.93 | K | Joback Calculated Property |
| Tfus | 440.98 | K | Joback Calculated Property |
| Vc | 0.708 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [529.85; 607.78] | J/mol×K | [710.30; 934.93] |
|
| Cp,gas | 529.85 | J/mol×K | 710.30 | Joback Calculated Property |
| Cp,gas | 545.60 | J/mol×K | 747.74 | Joback Calculated Property |
| Cp,gas | 560.22 | J/mol×K | 785.18 | Joback Calculated Property |
| Cp,gas | 573.73 | J/mol×K | 822.62 | Joback Calculated Property |
| Cp,gas | 586.14 | J/mol×K | 860.06 | Joback Calculated Property |
| Cp,gas | 597.49 | J/mol×K | 897.49 | Joback Calculated Property |
| Cp,gas | 607.78 | J/mol×K | 934.93 | Joback Calculated Property |
| η | [0.0002901; 0.0013605] | Pa×s | [440.98; 710.30] |
|
| η | 0.0013605 | Pa×s | 440.98 | Joback Calculated Property |
| η | 0.0009336 | Pa×s | 485.87 | Joback Calculated Property |
| η | 0.0006828 | Pa×s | 530.75 | Joback Calculated Property |
| η | 0.0005244 | Pa×s | 575.64 | Joback Calculated Property |
| η | 0.0004184 | Pa×s | 620.53 | Joback Calculated Property |
| η | 0.0003441 | Pa×s | 665.41 | Joback Calculated Property |
| η | 0.0002901 | Pa×s | 710.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-Tetralin-1,2-diol, diacetate.
Sources
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