- InChI
- InChI=1S/C9H12O/c1-2-8-10-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
- InChI Key
- DSNYFFJTZPIKFZ-UHFFFAOYSA-N
- Formula
- C9H12O
- SMILES
- CCCOc1ccccc1
- Molecular Weight1
- 136.19
- CAS
- 622-85-5
- Other Names
-
- Ether, phenyl propyl
- Ether, propyl phenyl
- Phenyl propyl ether
- Propoxybenzene
- Propoxyphenyl
- Propyl phenyl ether
- 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).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 32.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -124.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.31 | kJ/mol | Joback Calculated Property |
| log10WS | -2.43 | Crippen Calculated Property | |
| logPoct/wat | 2.475 | Crippen Calculated Property | |
| McVol | 119.780 | ml/mol | McGowan Calculated Property |
| Pc | 3199.16 | kPa | Joback Calculated Property |
| Inp | [1064.70; 1089.00] |
|
|
| Inp | 1078.00 | NIST | |
| Inp | 1089.00 | NIST | |
| Inp | 1064.70 | NIST | |
| Inp | 1064.70 | NIST | |
| I | [1501.00; 1506.00] |
|
|
| I | 1501.00 | NIST | |
| I | 1506.00 | NIST | |
| Tboil | [462.50; 463.10] | K |
|
| Tboil | 463.10 | K | NIST |
| Tboil | 463.05 ± 0.07 | K | NIST |
| Tboil | 462.50 ± 0.50 | K | NIST |
| Tboil | 462.50 ± 0.50 | K | NIST |
| Tc | 660.22 | K | Joback Calculated Property |
| Tfus | [244.91; 246.06] | K |
|
| Tfus | 245.36 ± 0.50 | K | NIST |
| Tfus | 244.91 ± 0.05 | K | NIST |
| Tfus | 246.06 ± 0.30 | K | NIST |
| Vc | 0.450 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.54; 310.41] | J/mol×K | [454.42; 660.22] |
|
| Cp,gas | 238.54 | J/mol×K | 454.42 | Joback Calculated Property |
| Cp,gas | 252.16 | J/mol×K | 488.72 | Joback Calculated Property |
| Cp,gas | 265.10 | J/mol×K | 523.02 | Joback Calculated Property |
| Cp,gas | 277.38 | J/mol×K | 557.32 | Joback Calculated Property |
| Cp,gas | 289.01 | J/mol×K | 591.62 | Joback Calculated Property |
| Cp,gas | 300.02 | J/mol×K | 625.92 | Joback Calculated Property |
| Cp,gas | 310.41 | J/mol×K | 660.22 | Joback Calculated Property |
| η | [0.0002037; 0.0027046] | Pa×s | [239.84; 454.42] |
|
| η | 0.0027046 | Pa×s | 239.84 | Joback Calculated Property |
| η | 0.0013289 | Pa×s | 275.60 | Joback Calculated Property |
| η | 0.0007687 | Pa×s | 311.37 | Joback Calculated Property |
| η | 0.0004978 | Pa×s | 347.13 | Joback Calculated Property |
| η | 0.0003496 | Pa×s | 382.89 | Joback Calculated Property |
| η | 0.0002608 | Pa×s | 418.66 | Joback Calculated Property |
| η | 0.0002037 | Pa×s | 454.42 | Joback Calculated Property |
| ΔvapH | 46.50 | kJ/mol | 418.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [339.96; 492.00] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.60100e+01 | |||
| Coefficient B | -5.09038e+03 | |||
| Coefficient C | -1.61990e+01 | |||
| Temperature range, min. | 339.96 | |||
| Temperature range, max. | 492.00 | |||
| Pvap | 1.33 | kPa | 339.96 | Calculated Property |
| Pvap | 2.91 | kPa | 356.85 | Calculated Property |
| Pvap | 5.89 | kPa | 373.75 | Calculated Property |
| Pvap | 11.19 | kPa | 390.64 | Calculated Property |
| Pvap | 20.13 | kPa | 407.53 | Calculated Property |
| Pvap | 34.49 | kPa | 424.43 | Calculated Property |
| Pvap | 56.60 | kPa | 441.32 | Calculated Property |
| Pvap | 89.45 | kPa | 458.21 | Calculated Property |
| Pvap | 136.68 | kPa | 475.11 | Calculated Property |
| Pvap | 202.64 | kPa | 492.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, propoxy-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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