- InChI
- InChI=1S/C7H12/c1-2-7-5-3-4-6-7/h3-4,7H,2,5-6H2,1H3
- InChI Key
- XWIUHPFMOVSNBE-UHFFFAOYSA-N
- Formula
- C7H12
- SMILES
- CCC1CC=CC1
- Molecular Weight1
- 96.17
- CAS
- 3742-38-9
- 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).
- 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).
- 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 | 0.2233 | Relay (1.0) Calculated Property | |
| ΔfG° | 74.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -34.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.363 | Crippen Calculated Property | |
| McVol | 94.330 | ml/mol | McGowan Calculated Property |
| Pc | 3568.53 | kPa | Joback Calculated Property |
| Tboil | 371.40 ± 3.00 | K | NIST |
| Tc | 551.25 | K | Relay (1.0) Calculated Property |
| Tfus | 155.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.337 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 36.50 | kJ/mol | 361.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [114.28; 332.46] | 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 | -5.61790e+01 | |||
| Coefficient B | 7.44520e-01 | |||
| Coefficient C | -4.71680e-04 | |||
| Coefficient D | 1.15800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 114.28 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 153.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 187.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 218.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 244.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 267.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 287.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 304.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 319.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 332.46 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0026035; 0.0002394] | Pa×s | [180.31; 399.25] |
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 | -1.03029e+01 | |||
| Coefficient B | 7.84700e+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. | 180.31 | |||
| Temperature range, max. | 399.25 | |||
| η | 0.0026035 | Pa×s | 180.31 | Calculated Property |
| η | 0.0015519 | Pa×s | 204.64 | Calculated Property |
| η | 0.0010326 | Pa×s | 228.96 | Calculated Property |
| η | 0.0007430 | Pa×s | 253.29 | Calculated Property |
| η | 0.0005664 | Pa×s | 277.62 | Calculated Property |
| η | 0.0004510 | Pa×s | 301.94 | Calculated Property |
| η | 0.0003716 | Pa×s | 326.27 | Calculated Property |
| η | 0.0003145 | Pa×s | 350.59 | Calculated Property |
| η | 0.0002720 | Pa×s | 374.92 | Calculated Property |
| η | 0.0002394 | Pa×s | 399.25 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [270.81; 396.80] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.40044e+01 | |||
| Coefficient B | -2.99030e+03 | |||
| Coefficient C | -5.28100e+01 | |||
| Temperature range, min. | 270.81 | |||
| Temperature range, max. | 396.80 | |||
| Pvap | 1.33 | kPa | 270.81 | Calculated Property |
| Pvap | 3.05 | kPa | 284.81 | Calculated Property |
| Pvap | 6.35 | kPa | 298.81 | Calculated Property |
| Pvap | 12.22 | kPa | 312.81 | Calculated Property |
| Pvap | 21.99 | kPa | 326.81 | Calculated Property |
| Pvap | 37.38 | kPa | 340.80 | Calculated Property |
| Pvap | 60.49 | kPa | 354.80 | Calculated Property |
| Pvap | 93.80 | kPa | 368.80 | Calculated Property |
| Pvap | 140.14 | kPa | 382.80 | Calculated Property |
| Pvap | 202.63 | kPa | 396.80 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylcyclopentene.
Sources
- 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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