- InChI
- InChI=1S/C9H18/c1-2-3-4-5-6-9-7-8-9/h9H,2-8H2,1H3
- InChI Key
- AOJZSYZUFZULLN-UHFFFAOYSA-N
- Formula
- C9H18
- SMILES
- CCCCCCC1CC1
- Molecular Weight1
- 126.24
- Other Names
-
- n-hexyl-cyclopropane
- 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 | 0.4242 | Relay (1.0) Calculated Property | |
| ΔfG° | 85.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -139.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.367 | Crippen Calculated Property | |
| McVol | 126.810 | ml/mol | McGowan Calculated Property |
| Pc | 2624.46 | kPa | Joback Calculated Property |
| Inp | [912.40; 916.60] |
|
|
| Inp | 913.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 913.00 | NIST | |
| Inp | 914.60 | NIST | |
| Inp | Outlier 916.60 | NIST | |
| Inp | 912.40 | NIST | |
| Inp | 912.70 | NIST | |
| Tboil | 431.37 | K | Relay (1.0) Calculated Property |
| Tc | 618.73 | K | Relay (1.0) Calculated Property |
| Tfus | 194.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.498 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [172.96; 463.38] | 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 | -5.55350e+01 | |||
| Coefficient B | 1.00972e+00 | |||
| Coefficient C | -6.86000e-04 | |||
| Coefficient D | 1.95200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 172.96 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 224.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 269.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 309.34 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 343.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 374.16 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 400.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 423.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 444.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 463.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017420; 0.0003838] | Pa×s | [209.13; 412.23] |
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 | -9.42279e+00 | |||
| Coefficient B | 6.42040e+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. | 209.13 | |||
| Temperature range, max. | 412.23 | |||
| η | 0.0017420 | Pa×s | 209.13 | Calculated Property |
| η | 0.0012918 | Pa×s | 231.70 | Calculated Property |
| η | 0.0010101 | Pa×s | 254.26 | Calculated Property |
| η | 0.0008222 | Pa×s | 276.83 | Calculated Property |
| η | 0.0006903 | Pa×s | 299.40 | Calculated Property |
| η | 0.0005940 | Pa×s | 321.96 | Calculated Property |
| η | 0.0005213 | Pa×s | 344.53 | Calculated Property |
| η | 0.0004648 | Pa×s | 367.10 | Calculated Property |
| η | 0.0004201 | Pa×s | 389.67 | Calculated Property |
| η | 0.0003838 | Pa×s | 412.23 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexylcyclopropane.
Sources
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