- InChI
- InChI=1S/C14H20O3/c1-10(2)9-16-14(15)17-13-7-5-12(6-8-13)11(3)4/h5-8,10-11H,9H2,1-4H3
- InChI Key
- PPZNALNNUKMJBG-UHFFFAOYSA-N
- Formula
- C14H20O3
- SMILES
- CC(C)COC(=O)Oc1ccc(C(C)C)cc1
- Molecular Weight1
- 236.31
- Other Names
-
- 4-Isopropylphenol, isoBOC
- 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 | 0.6828 | Relay (... Calculated Property | |
| ΔfG° | -174.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -591.31 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 22.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.54 | kJ/mol | Relay (... Calculated Property |
| IE | 8.50 | eV | Relay (... Calculated Property |
| log10WS | -4.69 | Relay (... Calculated Property | |
| logPoct/wat | 3.981 | Crippen Calculated Property | |
| McVol | 197.670 | ml/mol | McGowan Calculated Property |
| Pc | 2064.24 | kPa | Joback Calculated Property |
| Inp | [1656.00; 1656.00] |
|
|
| Inp | 1656.00 | NIST | |
| Inp | 1656.00 | NIST | |
| Tboil | 552.96 | K | Relay (... Calculated Property |
| Tc | 740.09 | K | Relay (... Calculated Property |
| Tfus | 274.28 | K | Relay (... Calculated Property |
| Vc | 0.732 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.93; 606.91] | J/mol×K | [649.21; 855.88] |
|
| Cp,gas | 521.93 | J/mol×K | 649.21 | Joback Calculated Property |
| Cp,gas | 538.40 | J/mol×K | 683.65 | Joback Calculated Property |
| Cp,gas | 553.93 | J/mol×K | 718.10 | Joback Calculated Property |
| Cp,gas | 568.54 | J/mol×K | 752.54 | Joback Calculated Property |
| Cp,gas | 582.23 | J/mol×K | 786.99 | Joback Calculated Property |
| Cp,gas | 595.02 | J/mol×K | 821.43 | Joback Calculated Property |
| Cp,gas | 606.91 | J/mol×K | 855.88 | Joback Calculated Property |
| η | [0.0001020; 0.0017648] | Pa×s | [350.87; 649.21] |
|
| η | 0.0017648 | Pa×s | 350.87 | Joback Calculated Property |
| η | 0.0008171 | Pa×s | 400.59 | Joback Calculated Property |
| η | 0.0004484 | Pa×s | 450.32 | Joback Calculated Property |
| η | 0.0002773 | Pa×s | 500.04 | Joback Calculated Property |
| η | 0.0001870 | Pa×s | 549.76 | Joback Calculated Property |
| η | 0.0001347 | Pa×s | 599.49 | Joback Calculated Property |
| η | 0.0001020 | Pa×s | 649.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, isobutyl 4-isopropylphenyl ester.
Sources
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