- InChI
- InChI=1S/C14H20O3/c1-10-6-11(2)8-12(7-10)17-13(15)16-9-14(3,4)5/h6-8H,9H2,1-5H3
- InChI Key
- FKHNWXTZUPREQT-UHFFFAOYSA-N
- Formula
- C14H20O3
- SMILES
- Cc1cc(C)cc(OC(=O)OCC(C)(C)C)c1
- Molecular Weight1
- 236.31
- 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° | -175.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -504.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.63 | kJ/mol | Joback Calculated Property |
| log10WS | -4.23 | Crippen Calculated Property | |
| logPoct/wat | 3.865 | Crippen Calculated Property | |
| McVol | 197.670 | ml/mol | McGowan Calculated Property |
| Pc | 2041.91 | kPa | Joback Calculated Property |
| Inp | 1622.00 | NIST | |
| Tboil | 651.84 | K | Joback Calculated Property |
| Tc | 862.62 | K | Joback Calculated Property |
| Tfus | 395.81 | K | Joback Calculated Property |
| Vc | 0.743 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [523.45; 606.97] | J/mol×K | [651.84; 862.62] | 
|
| Cp,gas | 523.45 | J/mol×K | 651.84 | Joback Calculated Property |
| Cp,gas | 539.72 | J/mol×K | 686.97 | Joback Calculated Property |
| Cp,gas | 555.02 | J/mol×K | 722.10 | Joback Calculated Property |
| Cp,gas | 569.37 | J/mol×K | 757.23 | Joback Calculated Property |
| Cp,gas | 582.80 | J/mol×K | 792.36 | Joback Calculated Property |
| Cp,gas | 595.33 | J/mol×K | 827.49 | Joback Calculated Property |
| Cp,gas | 606.97 | J/mol×K | 862.62 | Joback Calculated Property |
| η | [0.0001008; 0.0009790] | Pa×s | [395.81; 651.84] |
|
| η | 0.0009790 | Pa×s | 395.81 | Joback Calculated Property |
| η | 0.0005574 | Pa×s | 438.48 | Joback Calculated Property |
| η | 0.0003508 | Pa×s | 481.15 | Joback Calculated Property |
| η | 0.0002380 | Pa×s | 523.83 | Joback Calculated Property |
| η | 0.0001712 | Pa×s | 566.50 | Joback Calculated Property |
| η | 0.0001290 | Pa×s | 609.17 | Joback Calculated Property |
| η | 0.0001008 | Pa×s | 651.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, neopentyl 3,5-dimethylphenyl ester.
Sources
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