- InChI
- InChI=1S/C10H14O/c1-3-8-5-9(4-2)7-10(11)6-8/h5-7,11H,3-4H2,1-2H3
- InChI Key
- LPCJHUPMQKSPDC-UHFFFAOYSA-N
- Formula
- C10H14O
- SMILES
- CCc1cc(O)cc(CC)c1
- Molecular Weight1
- 150.22
- CAS
- 1197-34-8
- Other Names
-
- 3,5-Diethylphenol
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- I : 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 | 0.5976 | Relay (1.0) Calculated Property | |
| ΔfG° | -18.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -190.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.517 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 3407.89 | kPa | Joback Calculated Property |
| I | 2256.00 | NIST | |
| Tboil | 516.60 | K | Relay (1.0) Calculated Property |
| Tc | 731.63 | K | Relay (1.0) Calculated Property |
| Tfus | [347.95; 350.15] | K |
|
| Tfus | 349.15 ± 2.00 | K | NIST |
| Tfus | 349.40 ± 2.00 | K | NIST |
| Tfus | Outlier 347.95 ± 2.00 | K | NIST |
| Tfus | 349.65 ± 3.00 | K | NIST |
| Tfus | 349.15 ± 2.00 | K | NIST |
| Tfus | 349.15 ± 2.00 | K | NIST |
| Tfus | 350.15 ± 2.00 | K | NIST |
| Tfus | 349.15 ± 2.00 | K | NIST |
| Tfus | 350.15 ± 2.00 | K | NIST |
| Vc | 0.479 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [311.31; 380.67] | J/mol×K | [540.48; 759.98] |
|
| Cp,gas | 311.31 | J/mol×K | 540.48 | Joback Calculated Property |
| Cp,gas | 324.79 | J/mol×K | 577.06 | Joback Calculated Property |
| Cp,gas | 337.41 | J/mol×K | 613.65 | Joback Calculated Property |
| Cp,gas | 349.24 | J/mol×K | 650.23 | Joback Calculated Property |
| Cp,gas | 360.34 | J/mol×K | 686.81 | Joback Calculated Property |
| Cp,gas | 370.79 | J/mol×K | 723.39 | Joback Calculated Property |
| Cp,gas | 380.67 | J/mol×K | 759.98 | Joback Calculated Property |
| η | [0.0000567; 0.0022455] | Pa×s | [353.12; 540.48] |
|
| η | 0.0022455 | Pa×s | 353.12 | Joback Calculated Property |
| η | 0.0009482 | Pa×s | 384.35 | Joback Calculated Property |
| η | 0.0004558 | Pa×s | 415.57 | Joback Calculated Property |
| η | 0.0002427 | Pa×s | 446.80 | Joback Calculated Property |
| η | 0.0001403 | Pa×s | 478.03 | Joback Calculated Property |
| η | 0.0000868 | Pa×s | 509.25 | Joback Calculated Property |
| η | 0.0000567 | Pa×s | 540.48 | Joback Calculated Property |
| ΔvapH | 54.30 | kJ/mol | 454.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [396.92; 550.88] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54562e+01 | |||
| Coefficient B | -4.71576e+03 | |||
| Coefficient C | -8.60300e+01 | |||
| Temperature range, min. | 396.92 | |||
| Temperature range, max. | 550.88 | |||
| Pvap | 1.33 | kPa | 396.92 | Calculated Property |
| Pvap | 2.94 | kPa | 414.03 | Calculated Property |
| Pvap | 6.00 | kPa | 431.13 | Calculated Property |
| Pvap | 11.44 | kPa | 448.24 | Calculated Property |
| Pvap | 20.57 | kPa | 465.35 | Calculated Property |
| Pvap | 35.18 | kPa | 482.45 | Calculated Property |
| Pvap | 57.54 | kPa | 499.56 | Calculated Property |
| Pvap | 90.51 | kPa | 516.67 | Calculated Property |
| Pvap | 137.53 | kPa | 533.77 | Calculated Property |
| Pvap | 202.65 | kPa | 550.88 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 3,5-diethyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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