- InChI
- InChI=1S/C12H16O3/c1-12(2,3)9-14-11(13)15-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
- InChI Key
- NPZHSLKOUUVCQB-UHFFFAOYSA-N
- Formula
- C12H16O3
- SMILES
- CC(C)(C)COC(=O)Oc1ccccc1
- Molecular Weight1
- 208.25
- CAS
- 13183-19-2
- 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° | -173.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -440.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.85 | kJ/mol | Joback Calculated Property |
| log10WS | -3.28 | Crippen Calculated Property | |
| logPoct/wat | 3.248 | Crippen Calculated Property | |
| McVol | 169.490 | ml/mol | McGowan Calculated Property |
| Pc | 2522.65 | kPa | Joback Calculated Property |
| Inp | 1431.00 | NIST | |
| Tboil | 596.12 | K | Joback Calculated Property |
| Tc | 812.11 | K | Joback Calculated Property |
| Tfus | 348.23 | K | Joback Calculated Property |
| Vc | 0.630 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [423.01; 502.73] | J/mol×K | [596.12; 812.11] | 
|
| Cp,gas | 423.01 | J/mol×K | 596.12 | Joback Calculated Property |
| Cp,gas | 438.67 | J/mol×K | 632.12 | Joback Calculated Property |
| Cp,gas | 453.34 | J/mol×K | 668.12 | Joback Calculated Property |
| Cp,gas | 467.05 | J/mol×K | 704.12 | Joback Calculated Property |
| Cp,gas | 479.83 | J/mol×K | 740.12 | Joback Calculated Property |
| Cp,gas | 491.72 | J/mol×K | 776.11 | Joback Calculated Property |
| Cp,gas | 502.73 | J/mol×K | 812.11 | Joback Calculated Property |
| η | [0.0001319; 0.0018343] | Pa×s | [348.23; 596.12] |
|
| η | 0.0018343 | Pa×s | 348.23 | Joback Calculated Property |
| η | 0.0009372 | Pa×s | 389.55 | Joback Calculated Property |
| η | 0.0005447 | Pa×s | 430.86 | Joback Calculated Property |
| η | 0.0003481 | Pa×s | 472.18 | Joback Calculated Property |
| η | 0.0002391 | Pa×s | 513.49 | Joback Calculated Property |
| η | 0.0001737 | Pa×s | 554.81 | Joback Calculated Property |
| η | 0.0001319 | Pa×s | 596.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, neopentyl phenyl ester.
Sources
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