- 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
- 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.
- 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 | 0.4327 | Relay (1.0) Calculated Property | |
| ΔfG° | 32.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -124.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.64 | Relay (1.0) 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 | 1064.70 | NIST | |
| Inp | 1078.00 | NIST | |
| Inp | 1089.00 | 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 | 660.63 | K | Relay (1.0) 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 | 0.445 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 46.50 | kJ/mol | 418.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.55; 383.62] | 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 | -1.36980e+01 | |||
| Coefficient B | 7.16720e-01 | |||
| Coefficient C | -3.86000e-04 | |||
| Coefficient D | 6.66000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 154.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 194.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 230.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 262.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 290.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 315.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 336.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 355.13 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 370.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 383.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0023867; 0.0001939] | Pa×s | [245.44; 462.36] |
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 | -1.13889e+01 | |||
| Coefficient B | 1.31339e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 245.44 | |||
| Temperature range, max. | 462.36 | |||
| η | 0.0023867 | Pa×s | 245.44 | Calculated Property |
| η | 0.0014791 | Pa×s | 269.55 | Calculated Property |
| η | 0.0009916 | Pa×s | 293.65 | Calculated Property |
| η | 0.0007063 | Pa×s | 317.75 | Calculated Property |
| η | 0.0005277 | Pa×s | 341.85 | Calculated Property |
| η | 0.0004098 | Pa×s | 365.95 | Calculated Property |
| η | 0.0003283 | Pa×s | 390.05 | Calculated Property |
| η | 0.0002698 | Pa×s | 414.16 | Calculated Property |
| η | 0.0002267 | Pa×s | 438.26 | Calculated Property |
| η | 0.0001939 | Pa×s | 462.36 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [339.96; 492.00] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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 |
| Pvap | [6.12; 101.82] | kPa | [374.00; 463.10] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.67751e+01 | |||
| Coefficient B | -5.76338e+03 | |||
| Coefficient C | 1.11800e+01 | |||
| Reference | Dreisbach and Shrader, 1949 | |||
| Temperature range, min. | 374.00 | |||
| Temperature range, max. | 463.10 | |||
| Pvap | 6.12 | kPa | 374.00 | Calculated Property |
| Pvap | 8.91 | kPa | 383.90 | Calculated Property |
| Pvap | 12.73 | kPa | 393.80 | Calculated Property |
| Pvap | 17.87 | kPa | 403.70 | Calculated Property |
| Pvap | 24.71 | kPa | 413.60 | Calculated Property |
| Pvap | 33.65 | kPa | 423.50 | Calculated Property |
| Pvap | 45.21 | kPa | 433.40 | Calculated Property |
| Pvap | 59.97 | kPa | 443.30 | Calculated Property |
| Pvap | 78.58 | kPa | 453.20 | Calculated Property |
| Pvap | 101.82 | kPa | 463.10 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, propoxy-.
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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