- InChI
- InChI=1S/C12H18O/c1-3-6-10-8-5-9-11(7-4-2)12(10)13/h5,8-9,13H,3-4,6-7H2,1-2H3
- InChI Key
- NAILKKRDWBJCNH-UHFFFAOYSA-N
- Formula
- C12H18O
- SMILES
- CCCc1cccc(CCC)c1O
- Molecular Weight1
- 178.28
- CAS
- 6626-32-0
- 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).
- Pvap : Vapor pressure (kPa).
- 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 | 0.6597 | Relay (1.0) Calculated Property | |
| ΔfG° | -1.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -228.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.297 | Crippen Calculated Property | |
| McVol | 162.050 | ml/mol | McGowan Calculated Property |
| Pc | 2755.56 | kPa | Joback Calculated Property |
| Tboil | 526.16 | K | Relay (1.0) Calculated Property |
| Tc | 742.11 | K | Relay (1.0) Calculated Property |
| Tfus | 303.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.587 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.23; 539.27] | 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 | -3.65460e+01 | |||
| Coefficient B | 1.16004e+00 | |||
| Coefficient C | -8.49520e-04 | |||
| Coefficient D | 2.65300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 222.23 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 279.27 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 328.90 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 371.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 409.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 441.72 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 470.09 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 495.25 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 518.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 539.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015633; 0.0000503] | Pa×s | [375.66; 559.03] |
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 | -1.69367e+01 | |||
| Coefficient B | 3.93530e+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. | 375.66 | |||
| Temperature range, max. | 559.03 | |||
| η | 0.0015633 | Pa×s | 375.66 | Calculated Property |
| η | 0.0009120 | Pa×s | 396.03 | Calculated Property |
| η | 0.0005608 | Pa×s | 416.41 | Calculated Property |
| η | 0.0003609 | Pa×s | 436.78 | Calculated Property |
| η | 0.0002415 | Pa×s | 457.16 | Calculated Property |
| η | 0.0001673 | Pa×s | 477.53 | Calculated Property |
| η | 0.0001194 | Pa×s | 497.91 | Calculated Property |
| η | 0.0000875 | Pa×s | 518.28 | Calculated Property |
| η | 0.0000657 | Pa×s | 538.66 | Calculated Property |
| η | 0.0000503 | Pa×s | 559.03 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.16; 202.65] | kPa | [361.81; 578.63] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.43403e+01 | |||
| Coefficient B | -4.42755e+03 | |||
| Coefficient C | -8.82540e+01 | |||
| Temperature range, min. | 361.81 | |||
| Temperature range, max. | 578.63 | |||
| Pvap | 0.16 | kPa | 361.81 | Calculated Property |
| Pvap | 0.59 | kPa | 385.90 | Calculated Property |
| Pvap | 1.78 | kPa | 409.99 | Calculated Property |
| Pvap | 4.65 | kPa | 434.08 | Calculated Property |
| Pvap | 10.71 | kPa | 458.17 | Calculated Property |
| Pvap | 22.27 | kPa | 482.27 | Calculated Property |
| Pvap | 42.55 | kPa | 506.36 | Calculated Property |
| Pvap | 75.77 | kPa | 530.45 | Calculated Property |
| Pvap | 127.10 | kPa | 554.54 | Calculated Property |
| Pvap | 202.65 | kPa | 578.63 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-dipropylphenol.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- The Yaws Handbook of Vapor Pressure
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