- InChI
- InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2-
- InChI Key
- QROGIFZRVHSFLM-KXFIGUGUSA-N
- Formula
- C9H10
- SMILES
- CC=Cc1ccccc1
- Molecular Weight1
- 118.18
- CAS
- 766-90-5
- Other Names
-
- (Z)-1-Propenylbenzene
- 1-Phenyl-1-propene, cis-
- Benzene, (1Z)-1-propenyl-
- Benzene, 1-propenyl-, (Z)-
- Benzene, propen-1-yl-, (Z)-
- Benzene, propenyl-, (Z)-
- cis-1-Phenyl-1-propene
- cis-1-Phenylpropene
- cis-1-Propenylbenzene
- cis-Propenylbenzene
- cis-«beta»-Methylstyrene
- cis-«beta»-Methylstyrene
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔcH°gas : Standard gas enthalpy of combustion (kJ/mol).
- 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 |
|---|---|---|---|
| PAff | 836.40 | kJ/mol | NIST |
| BasG | 807.50 | kJ/mol | NIST |
| ΔcH°gas | -5092.14 | kJ/mol | NIST |
| ΔfG° | 217.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 124.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.86 | kJ/mol | Joback Calculated Property |
| IE | [8.15; 8.48] | eV |
|
| IE | 8.15 | eV | NIST |
| IE | 8.15 | eV | NIST |
| IE | 8.45 | eV | NIST |
| IE | 8.48 | eV | NIST |
| IE | 8.28 | eV | NIST |
| log10WS | -2.71 | Crippen Calculated Property | |
| logPoct/wat | 2.720 | Crippen Calculated Property | |
| McVol | 109.610 | ml/mol | McGowan Calculated Property |
| Pc | 3464.28 | kPa | Joback Calculated Property |
| Inp | [155.00; 984.00] |
|
|
| Inp | 973.00 | NIST | |
| Inp | 973.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 975.30 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 155.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 155.00 | NIST | |
| I | [1324.00; 1324.30] |
|
|
| I | 1324.30 | NIST | |
| I | 1324.00 | NIST | |
| Tboil | [440.58; 441.65] | K |
|
| Tboil | 440.58 ± 0.30 | K | NIST |
| Tboil | 441.65 ± 3.00 | K | NIST |
| Tc | 654.10 | K | Joback Calculated Property |
| Tfus | [203.40; 211.47] | K |
|
| Tfus | 203.40 ± 1.00 | K | NIST |
| Tfus | 211.23 ± 0.20 | K | NIST |
| Tfus | 211.47 ± 0.15 | K | NIST |
| Vc | 0.411 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [199.03; 268.59] | J/mol×K | [436.16; 654.10] |
|
| Cp,gas | 199.03 | J/mol×K | 436.16 | Joback Calculated Property |
| Cp,gas | 212.72 | J/mol×K | 472.48 | Joback Calculated Property |
| Cp,gas | 225.50 | J/mol×K | 508.81 | Joback Calculated Property |
| Cp,gas | 237.43 | J/mol×K | 545.13 | Joback Calculated Property |
| Cp,gas | 248.56 | J/mol×K | 581.46 | Joback Calculated Property |
| Cp,gas | 258.93 | J/mol×K | 617.78 | Joback Calculated Property |
| Cp,gas | 268.59 | J/mol×K | 654.10 | Joback Calculated Property |
| η | [0.0001928; 0.0032236] | Pa×s | [212.53; 436.16] |
|
| η | 0.0032236 | Pa×s | 212.53 | Joback Calculated Property |
| η | 0.0014202 | Pa×s | 249.80 | Joback Calculated Property |
| η | 0.0007741 | Pa×s | 287.07 | Joback Calculated Property |
| η | 0.0004851 | Pa×s | 324.34 | Joback Calculated Property |
| η | 0.0003347 | Pa×s | 361.62 | Joback Calculated Property |
| η | 0.0002476 | Pa×s | 398.89 | Joback Calculated Property |
| η | 0.0001928 | Pa×s | 436.16 | Joback Calculated Property |
| ΔvapH | 44.80 | kJ/mol | 423.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [329.54; 467.02] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56145e+01 | |||
| Coefficient B | -4.32144e+03 | |||
| Coefficient C | -4.75840e+01 | |||
| Temperature range, min. | 329.54 | |||
| Temperature range, max. | 467.02 | |||
| Pvap | 1.33 | kPa | 329.54 | Calculated Property |
| Pvap | 2.93 | kPa | 344.82 | Calculated Property |
| Pvap | 5.97 | kPa | 360.09 | Calculated Property |
| Pvap | 11.37 | kPa | 375.37 | Calculated Property |
| Pvap | 20.44 | kPa | 390.64 | Calculated Property |
| Pvap | 34.98 | kPa | 405.92 | Calculated Property |
| Pvap | 57.27 | kPa | 421.19 | Calculated Property |
| Pvap | 90.21 | kPa | 436.47 | Calculated Property |
| Pvap | 137.29 | kPa | 451.74 | Calculated Property |
| Pvap | 202.65 | kPa | 467.02 | Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-1-Phenylpropene.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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