- 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° | 80.28 | 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 | 742.49 | K | Relay (1.0) Calculated Property |
| Tfus | 307.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.589 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [405.01; 483.11] | J/mol×K | [586.24; 798.34] | 
|
| Cp,gas | 405.01 | J/mol×K | 586.24 | Joback Calculated Property |
| Cp,gas | 420.01 | J/mol×K | 621.59 | Joback Calculated Property |
| Cp,gas | 434.12 | J/mol×K | 656.94 | Joback Calculated Property |
| Cp,gas | 447.42 | J/mol×K | 692.29 | Joback Calculated Property |
| Cp,gas | 459.97 | J/mol×K | 727.64 | Joback Calculated Property |
| Cp,gas | 471.84 | J/mol×K | 762.99 | Joback Calculated Property |
| Cp,gas | 483.11 | J/mol×K | 798.34 | Joback Calculated Property |
| η | [0.0000363; 0.0015633] | Pa×s | [375.66; 586.24] |
|
| η | 0.0015633 | Pa×s | 375.66 | Joback Calculated Property |
| η | 0.0006387 | Pa×s | 410.76 | Joback Calculated Property |
| η | 0.0003005 | Pa×s | 445.85 | Joback Calculated Property |
| η | 0.0001578 | Pa×s | 480.95 | Joback Calculated Property |
| η | 0.0000904 | Pa×s | 516.05 | Joback Calculated Property |
| η | 0.0000557 | Pa×s | 551.14 | Joback Calculated Property |
| η | 0.0000363 | Pa×s | 586.24 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.16; 202.65] | kPa | [361.81; 578.63] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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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