- InChI
- InChI=1S/C4H6/c1-2-4-3-1/h1-2H,3-4H2
- InChI Key
- CFBGXYDUODCMNS-UHFFFAOYSA-N
- Formula
- C4H6
- SMILES
- C1=CCC1
- Molecular Weight1
- 54.09
- CAS
- 822-35-5
- 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).
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry.
Do not hesitate to contact us for your projects.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.1890 | KDB | |
| PAff | 784.40 | kJ/mol | NIST |
| BasG | 753.60 | kJ/mol | NIST |
| ΔcH°gas | -2588.20 ± 1.50 | kJ/mol | NIST |
| ΔfG° | 69.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [156.90; 157.00] | kJ/mol |
|
| ΔfH°gas | 156.90 ± 1.60 | kJ/mol | Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value |
| ΔfH°gas | 157.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 2.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 22.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.43; 9.59] | eV |
|
| IE | 9.43 ± 0.02 | eV | NIST |
| IE | 9.43 ± 0.02 | eV | NIST |
| IE | 9.43 | eV | NIST |
| IE | Outlier 9.59 | eV | NIST |
| IE | 9.43 ± 0.03 | eV | NIST |
| IE | 9.43 | eV | NIST |
| log10WS | -1.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.336 | Crippen Calculated Property | |
| McVol | 52.060 | ml/mol | McGowan Calculated Property |
| Pc | 5270.00 | kPa | KDB |
| Inp | [432.00; 434.00] |
|
|
| Inp | 432.00 | NIST | |
| Inp | 433.00 | NIST | |
| Inp | 433.00 | NIST | |
| Inp | 434.00 | NIST | |
| Tboil | [275.20; 275.80] | K |
|
| Tboil | 275.80 | K | KDB |
| Tboil | 275.20 | K | NIST |
| Tc | 446.30 | K | KDB |
| Tfus | 154.00 | K | KDB |
| Vc | 0.196 | m3/kmol | KDB |
| Zc | 0.2776480 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [24.60; 25.81] | kJ/mol | [235.50; 275.80] |
|
| ΔvapH | 24.60 | kJ/mol | 235.50 | NIST |
| ΔvapH | 24.70 | kJ/mol | 240.50 | NIST |
| ΔvapH | 25.81 | kJ/mol | 275.80 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [53.26; 169.25] | 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 | -5.42700e+01 | |||
| Coefficient B | 4.95600e-01 | |||
| Coefficient C | -4.10280e-04 | |||
| Coefficient D | 1.38200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 53.26 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 75.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 94.96 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 111.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 124.64 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 136.08 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 145.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 154.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 161.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 169.25 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011978; 0.0002047] | Pa×s | [154.00; 312.41] |
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 | -1.02113e+01 | |||
| Coefficient B | 5.36540e+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. | 154.00 | |||
| Temperature range, max. | 312.41 | |||
| η | 0.0011978 | Pa×s | 154.00 | Calculated Property |
| η | 0.0008379 | Pa×s | 171.60 | Calculated Property |
| η | 0.0006264 | Pa×s | 189.20 | Calculated Property |
| η | 0.0004921 | Pa×s | 206.80 | Calculated Property |
| η | 0.0004015 | Pa×s | 224.40 | Calculated Property |
| η | 0.0003374 | Pa×s | 242.01 | Calculated Property |
| η | 0.0002903 | Pa×s | 259.61 | Calculated Property |
| η | 0.0002546 | Pa×s | 277.21 | Calculated Property |
| η | 0.0002268 | Pa×s | 294.81 | Calculated Property |
| η | 0.0002047 | Pa×s | 312.41 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.18; 207.71] | kPa | [196.15; 295.08] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.45824e+01 | |||
| Coefficient B | -2.55142e+03 | |||
| Coefficient C | -1.91380e+01 | |||
| Temperature range, min. | 196.15 | |||
| Temperature range, max. | 295.08 | |||
| Pvap | 1.18 | kPa | 196.15 | Calculated Property |
| Pvap | 2.75 | kPa | 207.14 | Calculated Property |
| Pvap | 5.82 | kPa | 218.13 | Calculated Property |
| Pvap | 11.38 | kPa | 229.13 | Calculated Property |
| Pvap | 20.83 | kPa | 240.12 | Calculated Property |
| Pvap | 36.00 | kPa | 251.11 | Calculated Property |
| Pvap | 59.22 | kPa | 262.10 | Calculated Property |
| Pvap | 93.29 | kPa | 273.10 | Calculated Property |
| Pvap | 141.54 | kPa | 284.09 | Calculated Property |
| Pvap | 207.71 | kPa | 295.08 | Calculated Property |
| Pvap | [1.20; 5345.77] | kPa | [196.15; 446.33] |
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 | 5.11908e+01 | |||
| Coefficient B | -4.13962e+03 | |||
| Coefficient C | -5.72351e+00 | |||
| Coefficient D | 7.96917e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 196.15 | |||
| Temperature range, max. | 446.33 | |||
| Pvap | 1.20 | kPa | 196.15 | Calculated Property |
| Pvap | 8.44 | kPa | 223.95 | Calculated Property |
| Pvap | 36.97 | kPa | 251.75 | Calculated Property |
| Pvap | 117.17 | kPa | 279.54 | Calculated Property |
| Pvap | 296.00 | kPa | 307.34 | Calculated Property |
| Pvap | 635.43 | kPa | 335.14 | Calculated Property |
| Pvap | 1210.67 | kPa | 362.94 | Calculated Property |
| Pvap | 2111.04 | kPa | 390.73 | Calculated Property |
| Pvap | 3444.43 | kPa | 418.53 | Calculated Property |
| Pvap | 5345.77 | kPa | 446.33 | Calculated Property |
| Pvap | [1.17; 98.90] | kPa | [196.00; 275.10] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.40057e+01 | |||
| Coefficient B | -2.32405e+03 | |||
| Coefficient C | -2.81640e+01 | |||
| Reference | Heisig, 1941 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 196.00 | |||
| Temperature range, max. | 275.10 | |||
| Pvap | 1.17 | kPa | 196.00 | Calculated Property |
| Pvap | 2.33 | kPa | 204.79 | Calculated Property |
| Pvap | 4.35 | kPa | 213.58 | Calculated Property |
| Pvap | 7.68 | kPa | 222.37 | Calculated Property |
| Pvap | 12.89 | kPa | 231.16 | Calculated Property |
| Pvap | 20.74 | kPa | 239.94 | Calculated Property |
| Pvap | 32.11 | kPa | 248.73 | Calculated Property |
| Pvap | 48.08 | kPa | 257.52 | Calculated Property |
| Pvap | 69.88 | kPa | 266.31 | Calculated Property |
| Pvap | 98.90 | kPa | 275.10 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutene.
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.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
Take the time to validate and double check the source of the data.
Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.