- InChI
- InChI=1S/C10H14O/c1-6-5-7(2)9(4)10(11)8(6)3/h5,11H,1-4H3
- InChI Key
- KLAQSPUVCDBEGF-UHFFFAOYSA-N
- Formula
- C10H14O
- SMILES
- Cc1cc(C)c(C)c(O)c1C
- Molecular Weight1
- 150.22
- CAS
- 527-35-5
- Other Names
-
- 2,3,5,6-Tetramethylphenol
- Durenol
- Phenol, tetramethyl-
- 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).
- 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 | 0.5527 | Relay (1.0) Calculated Property | |
| ΔfG° | -37.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -206.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.626 | Crippen Calculated Property | |
| McVol | 133.870 | ml/mol | McGowan Calculated Property |
| Pc | 3291.59 | kPa | Joback Calculated Property |
| Inp | [231.30; 1361.00] |
|
|
| Inp | 1287.00 | NIST | |
| Inp | 1319.00 | NIST | |
| Inp | 1361.00 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 231.30 | NIST | |
| Inp | 232.59 | NIST | |
| Inp | 1354.00 | NIST | |
| Inp | 231.30 | NIST | |
| Inp | 1319.00 | NIST | |
| Tboil | [520.70; 522.00] | K |
|
| Tboil | 520.70 ± 4.00 | K | NIST |
| Tboil | 520.70 ± 4.00 | K | NIST |
| Tboil | 522.00 ± 3.00 | K | NIST |
| Tc | 744.44 | K | Relay (1.0) Calculated Property |
| Tfus | [389.00; 392.00] | K |
|
| Tfus | 390.00 ± 2.00 | K | NIST |
| Tfus | 390.00 ± 2.00 | K | NIST |
| Tfus | 392.00 ± 2.00 | K | NIST |
| Tfus | 389.00 ± 3.00 | K | NIST |
| Tfus | 392.00 ± 2.00 | K | NIST |
| Vc | 0.473 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 51.20 | kJ/mol | 451.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [184.90; 430.01] | 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 | -6.13000e+00 | |||
| Coefficient B | 8.51080e-01 | |||
| Coefficient C | -6.06640e-04 | |||
| Coefficient D | 1.91700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 184.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 227.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 264.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 297.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 326.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 351.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 373.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 393.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 412.51 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 430.01 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007530; 0.0000565] | Pa×s | [390.60; 540.70] |
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 | -1.65219e+01 | |||
| Coefficient B | 3.64446e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 390.60 | |||
| Temperature range, max. | 540.70 | |||
| η | 0.0007530 | Pa×s | 390.60 | Calculated Property |
| η | 0.0005139 | Pa×s | 407.28 | Calculated Property |
| η | 0.0003614 | Pa×s | 423.96 | Calculated Property |
| η | 0.0002610 | Pa×s | 440.63 | Calculated Property |
| η | 0.0001930 | Pa×s | 457.31 | Calculated Property |
| η | 0.0001458 | Pa×s | 473.99 | Calculated Property |
| η | 0.0001123 | Pa×s | 490.67 | Calculated Property |
| η | 0.0000880 | Pa×s | 507.35 | Calculated Property |
| η | 0.0000700 | Pa×s | 524.02 | Calculated Property |
| η | 0.0000565 | Pa×s | 540.70 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.95; 202.63] | kPa | [390.15; 550.28] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.54956e+01 | |||
| Coefficient B | -4.72801e+03 | |||
| Coefficient C | -8.60300e+01 | |||
| Temperature range, min. | 390.15 | |||
| Temperature range, max. | 550.28 | |||
| Pvap | 0.95 | kPa | 390.15 | Calculated Property |
| Pvap | 2.24 | kPa | 407.94 | Calculated Property |
| Pvap | 4.84 | kPa | 425.73 | Calculated Property |
| Pvap | 9.68 | kPa | 443.53 | Calculated Property |
| Pvap | 18.12 | kPa | 461.32 | Calculated Property |
| Pvap | 32.06 | kPa | 479.11 | Calculated Property |
| Pvap | 53.97 | kPa | 496.90 | Calculated Property |
| Pvap | 87.00 | kPa | 514.70 | Calculated Property |
| Pvap | 135.03 | kPa | 532.49 | Calculated Property |
| Pvap | 202.63 | kPa | 550.28 | Calculated Property |
| Pvap | [1.33; 101.93] | kPa | [381.80; 522.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.65047e+01 | |||
| Coefficient B | -6.22897e+03 | |||
| Coefficient C | 2.30300e+00 | |||
| Reference | von Terres, Gebert, et al., 1955, 2 | |||
| Temperature range, min. | 381.80 | |||
| Temperature range, max. | 522.00 | |||
| Pvap | 1.33 | kPa | 381.80 | Calculated Property |
| Pvap | 2.51 | kPa | 397.38 | Calculated Property |
| Pvap | 4.50 | kPa | 412.96 | Calculated Property |
| Pvap | 7.74 | kPa | 428.53 | Calculated Property |
| Pvap | 12.82 | kPa | 444.11 | Calculated Property |
| Pvap | 20.53 | kPa | 459.69 | Calculated Property |
| Pvap | 31.87 | kPa | 475.27 | Calculated Property |
| Pvap | 48.12 | kPa | 490.84 | Calculated Property |
| Pvap | 70.84 | kPa | 506.42 | Calculated Property |
| Pvap | 101.93 | kPa | 522.00 | Calculated Property |
| Pvap | [1.33; 101.93] | kPa | [381.80; 522.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.65047e+01 | |||
| Coefficient B | -6.22897e+03 | |||
| Coefficient C | 2.30300e+00 | |||
| Reference | von Terres, Gebert, et al., 1955 | |||
| Temperature range, min. | 381.80 | |||
| Temperature range, max. | 522.00 | |||
| Pvap | 1.33 | kPa | 381.80 | Calculated Property |
| Pvap | 2.51 | kPa | 397.38 | Calculated Property |
| Pvap | 4.50 | kPa | 412.96 | Calculated Property |
| Pvap | 7.74 | kPa | 428.53 | Calculated Property |
| Pvap | 12.82 | kPa | 444.11 | Calculated Property |
| Pvap | 20.53 | kPa | 459.69 | Calculated Property |
| Pvap | 31.87 | kPa | 475.27 | Calculated Property |
| Pvap | 48.12 | kPa | 490.84 | Calculated Property |
| Pvap | 70.84 | kPa | 506.42 | Calculated Property |
| Pvap | 101.93 | kPa | 522.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 2,3,5,6-tetramethyl-.
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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