- InChI
- InChI=1S/C13H20O/c1-3-4-7-10-14-11-13-9-6-5-8-12(13)2/h5-6,8-9H,3-4,7,10-11H2,1-2H3
- InChI Key
- RUHDECNSEVJLKK-UHFFFAOYSA-N
- Formula
- C13H20O
- SMILES
- CCCCCOCc1ccccc1C
- Molecular Weight1
- 192.30
- 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 | 0.5732 | Relay (1.0) Calculated Property | |
| ΔfG° | 56.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -213.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.702 | Crippen Calculated Property | |
| McVol | 176.140 | ml/mol | McGowan Calculated Property |
| Pc | 2129.52 | kPa | Joback Calculated Property |
| Inp | [1461.00; 1461.00] |
|
|
| Inp | 1461.00 | NIST | |
| Inp | 1461.00 | NIST | |
| Tboil | 520.04 | K | Relay (1.0) Calculated Property |
| Tc | 735.36 | K | Relay (1.0) Calculated Property |
| Tfus | 230.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.653 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.96; 586.94] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.03500e+00 | |||
| Coefficient B | 1.03724e+00 | |||
| Coefficient C | -5.36560e-04 | |||
| Coefficient D | 8.93000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 241.96 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 300.72 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 353.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 401.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 443.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 480.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 513.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 542.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 566.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 586.94 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019570; 0.0001817] | Pa×s | [297.44; 523.09] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.17459e+01 | |||
| Coefficient B | 1.63877e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 297.44 | |||
| Temperature range, max. | 523.09 | |||
| η | 0.0019570 | Pa×s | 297.44 | Calculated Property |
| η | 0.0012752 | Pa×s | 322.51 | Calculated Property |
| η | 0.0008839 | Pa×s | 347.58 | Calculated Property |
| η | 0.0006436 | Pa×s | 372.66 | Calculated Property |
| η | 0.0004878 | Pa×s | 397.73 | Calculated Property |
| η | 0.0003821 | Pa×s | 422.80 | Calculated Property |
| η | 0.0003075 | Pa×s | 447.87 | Calculated Property |
| η | 0.0002533 | Pa×s | 472.95 | Calculated Property |
| η | 0.0002128 | Pa×s | 498.02 | Calculated Property |
| η | 0.0001817 | Pa×s | 523.09 | Calculated Property |
Similar Compounds
Find more compounds similar to (2-Methylphenyl) methanol, n-pentyl ether.
Sources
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