- InChI
- InChI=1S/C12H16O2/c1-9-4-5-11(13)10(8-9)12(2)6-3-7-14-12/h4-5,8,13H,3,6-7H2,1-2H3
- InChI Key
- JNCQVPIRPRPNFS-UHFFFAOYSA-N
- Formula
- C12H16O2
- SMILES
- Cc1ccc(O)c(C2(C)CCCO2)c1
- Molecular Weight1
- 192.25
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.5663 | Relay (1.0) Calculated Property | |
| ΔfG° | -56.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -314.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.726 | Crippen Calculated Property | |
| McVol | 157.060 | ml/mol | McGowan Calculated Property |
| Pc | 3505.43 | kPa | Joback Calculated Property |
| Inp | 1629.00 | NIST | |
| Tboil | 566.15 | K | Relay (1.0) Calculated Property |
| Tc | 790.44 | K | Relay (1.0) Calculated Property |
| Tfus | 320.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.560 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [420.52; 507.62] | J/mol×K | [628.71; 879.10] | 
|
| Cp,gas | 420.52 | J/mol×K | 628.71 | Joback Calculated Property |
| Cp,gas | 436.79 | J/mol×K | 670.44 | Joback Calculated Property |
| Cp,gas | 452.02 | J/mol×K | 712.17 | Joback Calculated Property |
| Cp,gas | 466.45 | J/mol×K | 753.91 | Joback Calculated Property |
| Cp,gas | 480.36 | J/mol×K | 795.64 | Joback Calculated Property |
| Cp,gas | 494.00 | J/mol×K | 837.37 | Joback Calculated Property |
| Cp,gas | 507.62 | J/mol×K | 879.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-2-(2-methyltetrahydrofuran-2-yl)phenol.
Sources
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