- InChI
- InChI=1S/C13H24O3/c1-13(2,3)10-16-12(14)15-9-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3
- InChI Key
- JHYJFXWJFIIVJX-UHFFFAOYSA-N
- Formula
- C13H24O3
- SMILES
- CC(C)(C)COC(=O)OCC1CCCCC1
- Molecular Weight1
- 228.33
- 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° | -253.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -643.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.23 | kJ/mol | Joback Calculated Property |
| log10WS | -3.60 | Crippen Calculated Property | |
| logPoct/wat | 3.766 | Crippen Calculated Property | |
| McVol | 196.480 | ml/mol | McGowan Calculated Property |
| Pc | 2041.91 | kPa | Joback Calculated Property |
| Inp | [1514.00; 1514.00] |
|
|
| Inp | 1514.00 | NIST | |
| Inp | 1514.00 | NIST | |
| Tboil | 611.87 | K | Joback Calculated Property |
| Tc | 817.77 | K | Joback Calculated Property |
| Tfus | 340.46 | K | Joback Calculated Property |
| Vc | 0.728 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [538.56; 641.97] | J/mol×K | [611.87; 817.77] |
|
| Cp,gas | 538.56 | J/mol×K | 611.87 | Joback Calculated Property |
| Cp,gas | 558.59 | J/mol×K | 646.19 | Joback Calculated Property |
| Cp,gas | 577.47 | J/mol×K | 680.50 | Joback Calculated Property |
| Cp,gas | 595.22 | J/mol×K | 714.82 | Joback Calculated Property |
| Cp,gas | 611.87 | J/mol×K | 749.14 | Joback Calculated Property |
| Cp,gas | 627.44 | J/mol×K | 783.46 | Joback Calculated Property |
| Cp,gas | 641.97 | J/mol×K | 817.77 | Joback Calculated Property |
| η | [0.0001266; 0.0028479] | Pa×s | [340.46; 611.87] |
|
| η | 0.0028479 | Pa×s | 340.46 | Joback Calculated Property |
| η | 0.0012503 | Pa×s | 385.69 | Joback Calculated Property |
| η | 0.0006525 | Pa×s | 430.93 | Joback Calculated Property |
| η | 0.0003853 | Pa×s | 476.16 | Joback Calculated Property |
| η | 0.0002493 | Pa×s | 521.40 | Joback Calculated Property |
| η | 0.0001729 | Pa×s | 566.63 | Joback Calculated Property |
| η | 0.0001266 | Pa×s | 611.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, neopentyl cyclohexylmethyl ester.
Sources
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