- InChI
- InChI=1S/C12H15ClO3/c1-12(2,3)8-15-11(14)16-10-6-4-9(13)5-7-10/h4-7H,8H2,1-3H3
- InChI Key
- NYJHHOFKZJVGJQ-UHFFFAOYSA-N
- Formula
- C12H15ClO3
- SMILES
- CC(C)(C)COC(=O)Oc1ccc(Cl)cc1
- Molecular Weight1
- 242.70
- 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° | -195.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -467.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.90 | kJ/mol | Joback Calculated Property |
| log10WS | -3.97 | Crippen Calculated Property | |
| logPoct/wat | 3.901 | Crippen Calculated Property | |
| McVol | 181.730 | ml/mol | McGowan Calculated Property |
| Pc | 2395.87 | kPa | Joback Calculated Property |
| Inp | [1593.00; 1593.00] |
|
|
| Inp | 1593.00 | NIST | |
| Inp | 1593.00 | NIST | |
| Tboil | 638.53 | K | Joback Calculated Property |
| Tc | 859.03 | K | Joback Calculated Property |
| Tfus | 390.67 | K | Joback Calculated Property |
| Vc | 0.679 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [449.77; 522.10] | J/mol×K | [638.53; 859.03] |
|
| Cp,gas | 449.77 | J/mol×K | 638.53 | Joback Calculated Property |
| Cp,gas | 464.12 | J/mol×K | 675.28 | Joback Calculated Property |
| Cp,gas | 477.51 | J/mol×K | 712.03 | Joback Calculated Property |
| Cp,gas | 489.98 | J/mol×K | 748.78 | Joback Calculated Property |
| Cp,gas | 501.55 | J/mol×K | 785.53 | Joback Calculated Property |
| Cp,gas | 512.25 | J/mol×K | 822.28 | Joback Calculated Property |
| Cp,gas | 522.10 | J/mol×K | 859.03 | Joback Calculated Property |
| η | [0.0001188; 0.0011963] | Pa×s | [390.67; 638.53] |
|
| η | 0.0011963 | Pa×s | 390.67 | Joback Calculated Property |
| η | 0.0006772 | Pa×s | 431.98 | Joback Calculated Property |
| η | 0.0004234 | Pa×s | 473.29 | Joback Calculated Property |
| η | 0.0002854 | Pa×s | 514.60 | Joback Calculated Property |
| η | 0.0002040 | Pa×s | 555.91 | Joback Calculated Property |
| η | 0.0001528 | Pa×s | 597.22 | Joback Calculated Property |
| η | 0.0001188 | Pa×s | 638.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, neopentyl 4-chlorophenyl ester.
Sources
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