- InChI
- InChI=1S/C9H16/c1-3-4-5-6-9-7-8(9)2/h3,8-9H,1,4-7H2,2H3/t8-,9-/m1/s1
- InChI Key
- SPUNXURFCAVYMC-RKDXNWHRSA-N
- Formula
- C9H16
- SMILES
- C=CCCCC1CC1C
- Molecular Weight1
- 124.22
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3314 | Relay (1.0) Calculated Property | |
| ΔfG° | 165.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -35.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.999 | Crippen Calculated Property | |
| McVol | 122.510 | ml/mol | McGowan Calculated Property |
| Pc | 2648.83 | kPa | Joback Calculated Property |
| Inp | [848.90; 851.10] |
|
|
| Inp | 850.40 | NIST | |
| Inp | 851.10 | NIST | |
| Inp | 848.90 | NIST | |
| Tboil | 415.84 | K | Relay (1.0) Calculated Property |
| Tc | 609.65 | K | Relay (1.0) Calculated Property |
| Tfus | 159.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.441 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.42; 441.53] | 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 | -5.25870e+01 | |||
| Coefficient B | 9.63220e-01 | |||
| Coefficient C | -6.53500e-04 | |||
| Coefficient D | 1.84400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 165.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 214.55 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 257.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 295.48 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 328.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 357.18 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 382.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 404.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 423.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 441.53 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007831; 0.0003465] | Pa×s | [203.13; 408.87] |
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 | -8.77289e+00 | |||
| Coefficient B | 3.29190e+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. | 203.13 | |||
| Temperature range, max. | 408.87 | |||
| η | 0.0007831 | Pa×s | 203.13 | Calculated Property |
| η | 0.0006647 | Pa×s | 225.99 | Calculated Property |
| η | 0.0005814 | Pa×s | 248.85 | Calculated Property |
| η | 0.0005202 | Pa×s | 271.71 | Calculated Property |
| η | 0.0004735 | Pa×s | 294.57 | Calculated Property |
| η | 0.0004369 | Pa×s | 317.43 | Calculated Property |
| η | 0.0004075 | Pa×s | 340.29 | Calculated Property |
| η | 0.0003834 | Pa×s | 363.15 | Calculated Property |
| η | 0.0003634 | Pa×s | 386.01 | Calculated Property |
| η | 0.0003465 | Pa×s | 408.87 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-methyl-trans-2-(4-pentenyl)-cyclopropane.
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