- InChI
- InChI=1S/C5H6/c1-2-4-5-3-1/h1-4H,5H2
- InChI Key
- ZSWFCLXCOIISFI-UHFFFAOYSA-N
- Formula
- C5H6
- SMILES
- C1=CCC=C1
- Molecular Weight1
- 66.10
- CAS
- 542-92-7
- Other Names
-
- Cyclopentadiene
- Pentole
- Pyropentylene
- R-Pentine
- ω : Acentric Factor.
- 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).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- Ip : 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 |
|---|---|---|---|
| ω | 0.1898 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| PAff | [821.60; 828.00] | kJ/mol |
|
| PAff | 821.60 | kJ/mol | NIST |
| PAff | 828.00 | kJ/mol | NIST |
| BasG | [798.30; 798.40] | kJ/mol |
|
| BasG | 798.40 | kJ/mol | NIST |
| BasG | 798.30 | kJ/mol | NIST |
| ΔcH°gas | -2960.00 ± 30.00 | kJ/mol | NIST |
| ΔfH°gas | [133.40; 139.00] | kJ/mol |
|
| ΔfH°gas | 139.00 | kJ/mol | NIST |
| ΔfH°gas | 133.40 | kJ/mol | NIST |
| ΔfusH° | 4.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [28.40; 29.70] | kJ/mol |
|
| ΔvapH° | 29.00 | kJ/mol | NIST |
| ΔvapH° | 28.40 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 28.40 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 29.70 | kJ/mol | NIST |
| IE | [8.44; 9.00] | eV |
|
| IE | 8.57 ± 0.01 | eV | NIST |
| IE | 8.44 | eV | NIST |
| IE | 8.58 ± 0.02 | eV | NIST |
| IE | 8.56 ± 0.01 | eV | NIST |
| IE | 8.57 ± 0.01 | eV | NIST |
| IE | 8.57 ± 0.01 | eV | NIST |
| IE | Outlier 9.00 | eV | NIST |
| IE | 8.55 | eV | NIST |
| IE | 8.53 | eV | NIST |
| IE | 8.61 | eV | NIST |
| IE | 8.60 | eV | NIST |
| IE | 8.56 | eV | NIST |
| log10WS | -1.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.502 | Crippen Calculated Property | |
| McVol | 61.850 | ml/mol | McGowan Calculated Property |
| Pc | 4699.96 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Inp | [97.20; 552.50] |
|
|
| Inp | 545.00 | NIST | |
| Inp | 542.00 | NIST | |
| Inp | 534.70 | NIST | |
| Inp | 510.50 | NIST | |
| Inp | 552.50 | NIST | |
| Inp | 549.50 | NIST | |
| Inp | 527.00 | NIST | |
| Inp | 521.70 | NIST | |
| Inp | 543.00 | NIST | |
| Inp | 541.00 | NIST | |
| Inp | 545.00 | NIST | |
| Inp | 542.00 | NIST | |
| Inp | 523.00 | NIST | |
| Inp | 546.00 | NIST | |
| Inp | 540.00 | NIST | |
| Inp | 521.80 | NIST | |
| Inp | 521.60 | NIST | |
| Inp | 518.00 | NIST | |
| Inp | 521.00 | NIST | |
| Inp | 527.00 | NIST | |
| Inp | 530.00 | NIST | |
| Inp | 520.60 | NIST | |
| Inp | 516.61 | NIST | |
| Inp | 519.00 | NIST | |
| Inp | 522.00 | NIST | |
| Inp | 528.00 | NIST | |
| Inp | 530.00 | NIST | |
| Inp | 538.10 | NIST | |
| Inp | 533.00 | NIST | |
| Inp | 522.00 | NIST | |
| Inp | 528.00 | NIST | |
| Inp | 525.00 | NIST | |
| Inp | 523.00 | NIST | |
| Inp | 538.00 | NIST | |
| Inp | 530.00 | NIST | |
| Inp | 535.00 | NIST | |
| Inp | 540.00 | NIST | |
| Inp | Outlier 97.20 | NIST | |
| Inp | 538.10 | NIST | |
| Inp | 523.00 | NIST | |
| Ip | [735.00; 745.70] |
|
|
| Ip | 745.70 | NIST | |
| Ip | 735.00 | NIST | |
| S°gas | 274.47 | J/mol×K | NIST |
| S°liquid | 182.70 | J/mol×K | NIST |
| Tboil | [313.00; 315.70] | K |
|
| Tboil | 313.20 | K | NIST |
| Tboil | 314.20 ± 5.00 | K | NIST |
| Tboil | 313.90 ± 2.00 | K | NIST |
| Tboil | 313.15 ± 2.00 | K | NIST |
| Tboil | 313.00 ± 2.00 | K | NIST |
| Tboil | 314.90 ± 2.00 | K | NIST |
| Tboil | 314.00 ± 3.00 | K | NIST |
| Tboil | 315.70 ± 3.00 | K | NIST |
| Tc | 500.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tfus | [182.05; 188.00] | K |
|
| Tfus | 182.05 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 183.15 ± 10.00 | K | NIST |
| Tfus | 188.00 ± 3.00 | K | NIST |
| Ttriple | [176.60; 176.60] | K |
|
| Ttriple | 176.60 ± 0.05 | K | NIST |
| Ttriple | 176.60 ± 0.05 | K | NIST |
| Vc | 0.232 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 115.30 | J/mol×K | 298.15 | NIST |
| ΔfusH | [8.01; 8.01] | kJ/mol | [176.60; 176.60] |
|
| ΔfusH | 8.01 | kJ/mol | 176.60 | NIST |
| ΔfusH | 8.01 | kJ/mol | 176.60 | NIST |
| ΔfusH | 8.01 | kJ/mol | 176.60 | NIST |
| ΔvapH | [28.10; 28.20] | kJ/mol | [292.50; 302.50] |
|
| ΔvapH | 28.20 | kJ/mol | 292.50 | NIST |
| ΔvapH | 28.10 | kJ/mol | 302.50 | NIST |
| ΔfusS | [45.40; 45.40] | J/mol×K | [176.60; 176.60] |
|
| ΔfusS | 45.40 | J/mol×K | 176.60 | NIST |
| ΔfusS | 45.40 | J/mol×K | 176.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [63.11; 191.32] | 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 | -5.25200e+01 | |||
| Coefficient B | 5.25000e-01 | |||
| Coefficient C | -4.05560e-04 | |||
| Coefficient D | 1.24400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 63.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 87.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 109.24 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 127.35 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 142.67 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 155.61 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 166.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 175.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 184.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 191.32 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014177; 0.0002078] | Pa×s | [184.40; 350.00] |
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 | -1.06168e+01 | |||
| Coefficient B | 7.48310e+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. | 184.40 | |||
| Temperature range, max. | 350.00 | |||
| η | 0.0014177 | Pa×s | 184.40 | Calculated Property |
| η | 0.0009810 | Pa×s | 202.80 | Calculated Property |
| η | 0.0007218 | Pa×s | 221.20 | Calculated Property |
| η | 0.0005566 | Pa×s | 239.60 | Calculated Property |
| η | 0.0004455 | Pa×s | 258.00 | Calculated Property |
| η | 0.0003673 | Pa×s | 276.40 | Calculated Property |
| η | 0.0003102 | Pa×s | 294.80 | Calculated Property |
| η | 0.0002672 | Pa×s | 313.20 | Calculated Property |
| η | 0.0002340 | Pa×s | 331.60 | Calculated Property |
| η | 0.0002078 | Pa×s | 350.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [223.94; 336.05] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.47937e+01 | |||
| Coefficient B | -3.06948e+03 | |||
| Coefficient C | -1.23430e+01 | |||
| Temperature range, min. | 223.94 | |||
| Temperature range, max. | 336.05 | |||
| Pvap | 1.33 | kPa | 223.94 | Calculated Property |
| Pvap | 2.99 | kPa | 236.40 | Calculated Property |
| Pvap | 6.14 | kPa | 248.85 | Calculated Property |
| Pvap | 11.76 | kPa | 261.31 | Calculated Property |
| Pvap | 21.16 | kPa | 273.77 | Calculated Property |
| Pvap | 36.10 | kPa | 286.22 | Calculated Property |
| Pvap | 58.79 | kPa | 298.68 | Calculated Property |
| Pvap | 91.91 | kPa | 311.14 | Calculated Property |
| Pvap | 138.65 | kPa | 323.59 | Calculated Property |
| Pvap | 202.65 | kPa | 336.05 | Calculated Property |
| Pvap | [0.07; 5003.74] | kPa | [188.15; 507.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 6.26203e+01 | |||
| Coefficient B | -4.93279e+03 | |||
| Coefficient C | -7.52765e+00 | |||
| Coefficient D | 9.77663e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 188.15 | |||
| Temperature range, max. | 507.00 | |||
| Pvap | 0.07 | kPa | 188.15 | Calculated Property |
| Pvap | 1.38 | kPa | 223.58 | Calculated Property |
| Pvap | 11.03 | kPa | 259.01 | Calculated Property |
| Pvap | 50.36 | kPa | 294.43 | Calculated Property |
| Pvap | 160.70 | kPa | 329.86 | Calculated Property |
| Pvap | 404.53 | kPa | 365.29 | Calculated Property |
| Pvap | 867.07 | kPa | 400.72 | Calculated Property |
| Pvap | 1664.32 | kPa | 436.14 | Calculated Property |
| Pvap | 2961.21 | kPa | 471.57 | Calculated Property |
| Pvap | 5003.74 | kPa | 507.00 | Calculated Property |
| Pvap | [18.87; 99.18] | kPa | [271.30; 314.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.07156e+01 | |||
| Coefficient B | -1.22457e+03 | |||
| Coefficient C | -1.13863e+02 | |||
| Reference | Lesteva, Ogoradnikov, et al., 1967 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 271.30 | |||
| Temperature range, max. | 314.00 | |||
| Pvap | 18.87 | kPa | 271.30 | Calculated Property |
| Pvap | 23.69 | kPa | 276.04 | Calculated Property |
| Pvap | 29.36 | kPa | 280.79 | Calculated Property |
| Pvap | 35.96 | kPa | 285.53 | Calculated Property |
| Pvap | 43.56 | kPa | 290.28 | Calculated Property |
| Pvap | 52.25 | kPa | 295.02 | Calculated Property |
| Pvap | 62.08 | kPa | 299.77 | Calculated Property |
| Pvap | 73.14 | kPa | 304.51 | Calculated Property |
| Pvap | 85.49 | kPa | 309.26 | Calculated Property |
| Pvap | 99.18 | kPa | 314.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Cyclopentadiene.
Sources
- KDB Vapor Pressure Data
- Active Thermochemical Tables 1.112, gas-phase enthalpies of formation ChEDL chemicals 1.5.2, from Active Thermochemical Tables (ATcT), version 1.112, Argonne National Laboratory; Ruscic, B. et al. Active Thermochemical Tables: Thermochemistry for the 21st Century. J. Phys.: Conf. Ser. 2005, 16, 561.
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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