- InChI
- InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3
- InChI Key
- PMJHHCWVYXUKFD-UHFFFAOYSA-N
- Formula
- C5H8
- SMILES
- C=CC=CC
- Molecular Weight1
- 68.12
- CAS
- 504-60-9
- Other Names
-
- 1-Methylbutadiene
- 1-trans-3-Pentadiene
- CH2=CHCH=CHCH3
- Penta-1,3-diene
- Piperylene
- Rcra waste number U186
- 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).
- Inp : Non-polar retention indices.
- Ip : 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 | 0.1754 | Passut and Danner (1973), critical constants and acentric factors Compiled value | |
| ΔfG° | 159.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 90.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 26.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | NIST |
| log10WS | -2.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.748 | Crippen Calculated Property | |
| McVol | 72.710 | ml/mol | McGowan Calculated Property |
| Pc | 3992.06 | kPa | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Inp | [515.00; 542.00] |
|
|
| Inp | 521.00 | NIST | |
| Inp | 525.00 | NIST | |
| Inp | 526.00 | NIST | |
| Inp | 515.00 | NIST | |
| Inp | Outlier 542.00 | NIST | |
| Inp | 515.00 | NIST | |
| Inp | 515.00 | NIST | |
| Inp | 516.00 | NIST | |
| Inp | 526.00 | NIST | |
| Inp | 515.00 | NIST | |
| Ip | [689.00; 689.00] |
|
|
| Ip | 689.00 | NIST | |
| Ip | 689.00 | NIST | |
| Tboil | [314.00; 316.00] | K |
|
| Tboil | 315.20 | K | NIST |
| Tboil | 315.00 | K | NIST |
| Tboil | 315.70 ± 2.00 | K | NIST |
| Tboil | 314.90 ± 1.50 | K | NIST |
| Tboil | 316.00 ± 4.00 | K | NIST |
| Tboil | 314.40 ± 2.00 | K | NIST |
| Tboil | 315.70 ± 2.00 | K | NIST |
| Tboil | 315.00 ± 3.00 | K | NIST |
| Tboil | 315.60 ± 2.00 | K | NIST |
| Tboil | 315.00 ± 3.00 | K | NIST |
| Tboil | 315.30 ± 2.00 | K | NIST |
| Tboil | Outlier 314.00 ± 2.00 | K | NIST |
| Tc | 496.48 | K | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Tfus | 183.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.274 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [87.74; 218.19] | 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 | -1.88300e+01 | |||
| Coefficient B | 4.78820e-01 | |||
| Coefficient C | -3.54900e-04 | |||
| Coefficient D | 1.13100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 87.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 111.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 131.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 149.15 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 164.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 177.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 189.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 199.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 209.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 218.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0024945; 0.0001268] | Pa×s | [139.27; 347.54] |
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 | -1.09647e+01 | |||
| Coefficient B | 6.92320e+02 | |||
| 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. | 139.27 | |||
| Temperature range, max. | 347.54 | |||
| η | 0.0024945 | Pa×s | 139.27 | Calculated Property |
| η | 0.0012285 | Pa×s | 162.41 | Calculated Property |
| η | 0.0007219 | Pa×s | 185.55 | Calculated Property |
| η | 0.0004773 | Pa×s | 208.69 | Calculated Property |
| η | 0.0003428 | Pa×s | 231.83 | Calculated Property |
| η | 0.0002614 | Pa×s | 254.97 | Calculated Property |
| η | 0.0002085 | Pa×s | 278.12 | Calculated Property |
| η | 0.0001722 | Pa×s | 301.26 | Calculated Property |
| η | 0.0001462 | Pa×s | 324.40 | Calculated Property |
| η | 0.0001268 | Pa×s | 347.54 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.13; 100.97] | kPa | [201.30; 315.30] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.39828e+01 | |||
| Coefficient B | -2.57717e+03 | |||
| Coefficient C | -4.01980e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 201.30 | |||
| Temperature range, max. | 315.30 | |||
| Pvap | 0.13 | kPa | 201.30 | Calculated Property |
| Pvap | 0.43 | kPa | 213.97 | Calculated Property |
| Pvap | 1.17 | kPa | 226.63 | Calculated Property |
| Pvap | 2.83 | kPa | 239.30 | Calculated Property |
| Pvap | 6.13 | kPa | 251.97 | Calculated Property |
| Pvap | 12.18 | kPa | 264.63 | Calculated Property |
| Pvap | 22.50 | kPa | 277.30 | Calculated Property |
| Pvap | 39.04 | kPa | 289.97 | Calculated Property |
| Pvap | 64.24 | kPa | 302.63 | Calculated Property |
| Pvap | 100.97 | kPa | 315.30 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Pentadiene.
Sources
- Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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