- InChI
- InChI=1S/C8H15ClO3/c1-8(2,3)6-12-7(10)11-5-4-9/h4-6H2,1-3H3
- InChI Key
- NYIQAUKWXYWVSR-UHFFFAOYSA-N
- Formula
- C8H15ClO3
- SMILES
- CC(C)(C)COC(=O)OCCCl
- Molecular Weight1
- 194.66
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5728 | Relay (1.0) Calculated Property | |
| ΔfG° | -331.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -735.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.425 | Crippen Calculated Property | |
| McVol | 149.130 | ml/mol | McGowan Calculated Property |
| Pc | 2563.69 | kPa | Joback Calculated Property |
| Inp | 1194.00 | NIST | |
| Tboil | 486.66 | K | Relay (1.0) Calculated Property |
| Tc | 633.73 | K | Relay (1.0) Calculated Property |
| Tfus | 288.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.545 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [334.76; 401.68] | J/mol×K | [515.35; 706.00] | 
|
| Cp,gas | 334.76 | J/mol×K | 515.35 | Joback Calculated Property |
| Cp,gas | 347.34 | J/mol×K | 547.12 | Joback Calculated Property |
| Cp,gas | 359.33 | J/mol×K | 578.90 | Joback Calculated Property |
| Cp,gas | 370.75 | J/mol×K | 610.67 | Joback Calculated Property |
| Cp,gas | 381.61 | J/mol×K | 642.45 | Joback Calculated Property |
| Cp,gas | 391.92 | J/mol×K | 674.22 | Joback Calculated Property |
| Cp,gas | 401.68 | J/mol×K | 706.00 | Joback Calculated Property |
| η | [0.0002037; 0.0027321] | Pa×s | [306.65; 515.35] |
|
| η | 0.0027321 | Pa×s | 306.65 | Joback Calculated Property |
| η | 0.0014218 | Pa×s | 341.43 | Joback Calculated Property |
| η | 0.0008349 | Pa×s | 376.22 | Joback Calculated Property |
| η | 0.0005365 | Pa×s | 411.00 | Joback Calculated Property |
| η | 0.0003694 | Pa×s | 445.78 | Joback Calculated Property |
| η | 0.0002684 | Pa×s | 480.57 | Joback Calculated Property |
| η | 0.0002037 | Pa×s | 515.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, 2-chloroethyl neopentyl ester.
Sources
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