- InChI
- InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-
- InChI Key
- PMJHHCWVYXUKFD-PLNGDYQASA-N
- Formula
- C5H8
- SMILES
- C=CC=CC
- Molecular Weight1
- 68.12
- CAS
- 1574-41-0
- Other Names
-
- (Z)-1,3-PENTADIENE
- (Z)-CH2=CHCH=CHCH3
- (Z)-penta-1,3-diene
- 1,cis-3-Pentadiene
- CIS-1,3-PENTADIENE
- CIS-1-METHYLBUTADIENE
- CIS-PIPERYLENE
- Pentadiene-1,3, cis-
- ΔcH°gas : Standard gas enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°gas : Molar entropy at standard conditions (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 |
|---|---|---|---|
| ΔcH°gas | -3193.60 ± 0.88 | kJ/mol | NIST |
| ΔfG° | 159.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 82.72 ± 0.92 | kJ/mol | NIST |
| ΔfusH° | 7.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.30 | kJ/mol | NIST |
| IE | [8.59; 8.67] | eV |
|
| IE | 8.62 ± 0.03 | eV | NIST |
| IE | 8.64 | eV | NIST |
| IE | 8.67 ± 0.02 | eV | NIST |
| IE | 8.59 | eV | NIST |
| IE | 8.63 | eV | NIST |
| IE | 8.60 | eV | NIST |
| IE | 8.60 | eV | NIST |
| log10WS | -1.62 | Crippen Calculated Property | |
| logPoct/wat | 1.748 | Crippen Calculated Property | |
| McVol | 72.710 | ml/mol | McGowan Calculated Property |
| Pc | 3886.79 | kPa | Joback Calculated Property |
| Inp | [510.00; 541.20] |
|
|
| Inp | 524.00 | NIST | |
| Inp | 537.00 | NIST | |
| Inp | Outlier 510.00 | NIST | |
| Inp | 525.00 | NIST | |
| Inp | 524.80 | NIST | |
| Inp | 524.40 | NIST | |
| Inp | 525.10 | NIST | |
| Inp | 536.10 | NIST | |
| Inp | 522.80 | NIST | |
| Inp | 524.00 | NIST | |
| Inp | 525.00 | NIST | |
| Inp | 527.00 | NIST | |
| Inp | 527.00 | NIST | |
| Inp | 541.20 | NIST | |
| Inp | Outlier 510.50 | NIST | |
| Inp | 536.00 | NIST | |
| Inp | 524.00 | NIST | |
| Inp | 536.00 | NIST | |
| Inp | 536.00 | NIST | |
| Inp | 532.00 | NIST | |
| Inp | 536.00 | NIST | |
| S°gas | 322.80 | J/mol×K | NIST |
| S°liquid | 233.25 | J/mol×K | NIST |
| Tboil | [316.00; 317.30] | K |
|
| Tboil | 317.30 | K | NIST |
| Tboil | 317.18 ± 0.40 | K | NIST |
| Tboil | 317.20 ± 0.40 | K | NIST |
| Tboil | 316.65 ± 1.00 | K | NIST |
| Tboil | 316.00 ± 2.00 | K | NIST |
| Tc | 490.29 | K | Joback Calculated Property |
| Tfus | [131.57; 132.33] | K |
|
| Tfus | 132.31 | K | KDB |
| Tfus | 132.31 ± 0.04 | K | NIST |
| Tfus | 132.31 ± 0.03 | K | NIST |
| Tfus | 132.33 ± 0.02 | K | NIST |
| Tfus | 131.57 ± 0.50 | K | NIST |
| Ttriple | 132.35 ± 0.05 | K | NIST |
| Vc | 0.277 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [100.21; 143.95] | J/mol×K | [314.64; 490.29] |
|
| Cp,gas | 100.21 | J/mol×K | 314.64 | Joback Calculated Property |
| Cp,gas | 108.47 | J/mol×K | 343.91 | Joback Calculated Property |
| Cp,gas | 116.31 | J/mol×K | 373.19 | Joback Calculated Property |
| Cp,gas | 123.76 | J/mol×K | 402.46 | Joback Calculated Property |
| Cp,gas | 130.84 | J/mol×K | 431.74 | Joback Calculated Property |
| Cp,gas | 137.57 | J/mol×K | 461.01 | Joback Calculated Property |
| Cp,gas | 143.95 | J/mol×K | 490.29 | Joback Calculated Property |
| Cp,liquid | 146.57 | J/mol×K | 298.15 | NIST |
| η | [0.0001562; 0.0024945] | Pa×s | [139.27; 314.64] |
|
| η | 0.0024945 | Pa×s | 139.27 | Joback Calculated Property |
| η | 0.0010531 | Pa×s | 168.50 | Joback Calculated Property |
| η | 0.0005737 | Pa×s | 197.73 | Joback Calculated Property |
| η | 0.0003655 | Pa×s | 226.95 | Joback Calculated Property |
| η | 0.0002581 | Pa×s | 256.18 | Joback Calculated Property |
| η | 0.0001957 | Pa×s | 285.41 | Joback Calculated Property |
| η | 0.0001562 | Pa×s | 314.64 | Joback Calculated Property |
| ΔfusH | [5.64; 5.64] | kJ/mol | [132.35; 132.40] |
|
| ΔfusH | 5.64 | kJ/mol | 132.35 | NIST |
| ΔfusH | 5.64 | kJ/mol | 132.40 | NIST |
| ΔfusH | 5.64 | kJ/mol | 132.40 | NIST |
| ΔvapH | [28.80; 31.90] | kJ/mol | [227.50; 303.50] |
|
| ΔvapH | 31.90 | kJ/mol | 227.50 | NIST |
| ΔvapH | 31.20 | kJ/mol | 242.50 | NIST |
| ΔvapH | 30.10 | kJ/mol | 290.50 | NIST |
| ΔvapH | 28.80 | kJ/mol | 303.50 | NIST |
| ΔfusS | 42.60 | J/mol×K | 132.35 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [227.24; 340.25] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.37915e+01 | |||
| Coefficient B | -2.57592e+03 | |||
| Coefficient C | -3.64890e+01 | |||
| Temperature range, min. | 227.24 | |||
| Temperature range, max. | 340.25 | |||
| Pvap | 1.33 | kPa | 227.24 | Calculated Property |
| Pvap | 3.07 | kPa | 239.80 | Calculated Property |
| Pvap | 6.41 | kPa | 252.35 | Calculated Property |
| Pvap | 12.36 | kPa | 264.91 | Calculated Property |
| Pvap | 22.24 | kPa | 277.47 | Calculated Property |
| Pvap | 37.77 | kPa | 290.02 | Calculated Property |
| Pvap | 61.00 | kPa | 302.58 | Calculated Property |
| Pvap | 94.36 | kPa | 315.14 | Calculated Property |
| Pvap | 140.57 | kPa | 327.69 | Calculated Property |
| Pvap | 202.63 | kPa | 340.25 | Calculated Property |
| Pvap | [2.08e-06; 3762.04] | kPa | [132.35; 499.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 6.03742e+01 | |||
| Coefficient B | -5.30049e+03 | |||
| Coefficient C | -6.85336e+00 | |||
| Coefficient D | 4.24873e-06 | |||
| Temperature range, min. | 132.35 | |||
| Temperature range, max. | 499.00 | |||
| Pvap | 2.08e-06 | kPa | 132.35 | Calculated Property |
| Pvap | 4.33e-03 | kPa | 173.09 | Calculated Property |
| Pvap | 0.37 | kPa | 213.83 | Calculated Property |
| Pvap | 6.45 | kPa | 254.57 | Calculated Property |
| Pvap | 45.31 | kPa | 295.31 | Calculated Property |
| Pvap | 183.68 | kPa | 336.04 | Calculated Property |
| Pvap | 522.06 | kPa | 376.78 | Calculated Property |
| Pvap | 1169.45 | kPa | 417.52 | Calculated Property |
| Pvap | 2222.53 | kPa | 458.26 | Calculated Property |
| Pvap | 3762.04 | kPa | 499.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Pentadiene, (Z)-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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