- InChI
- InChI=1S/C13H18/c1-2-3-5-11-8-9-12-6-4-7-13(12)10-11/h8-10H,2-7H2,1H3
- InChI Key
- UJGOUXAEHNPLGZ-UHFFFAOYSA-N
- Formula
- C13H18
- SMILES
- CCCCc1ccc2c(c1)CCC2
- Molecular Weight1
- 174.28
- 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 | 0.5112 | Relay (1.0) Calculated Property | |
| ΔfG° | 220.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -45.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.518 | Crippen Calculated Property | |
| McVol | 159.410 | ml/mol | McGowan Calculated Property |
| Pc | 2495.01 | kPa | Joback Calculated Property |
| Inp | [1403.33; 1443.20] |
|
|
| Inp | 1403.33 | NIST | |
| Inp | 1410.65 | NIST | |
| Inp | 1415.33 | NIST | |
| Inp | 1430.24 | NIST | |
| Inp | 1438.14 | NIST | |
| Inp | 1443.20 | NIST | |
| Tboil | 537.14 | K | Relay (1.0) Calculated Property |
| Tc | 749.46 | K | Relay (1.0) Calculated Property |
| Tfus | 226.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.623 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.40; 538.48] | 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 | -7.04170e+01 | |||
| Coefficient B | 1.21832e+00 | |||
| Coefficient C | -8.56120e-04 | |||
| Coefficient D | 2.46700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 203.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 264.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 317.59 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 363.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 403.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 438.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 468.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 494.64 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 517.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 538.48 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019150; 0.0003828] | Pa×s | [309.91; 531.36] |
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 | -1.01213e+01 | |||
| Coefficient B | 1.19727e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 309.91 | |||
| Temperature range, max. | 531.36 | |||
| η | 0.0019150 | Pa×s | 309.91 | Calculated Property |
| η | 0.0014413 | Pa×s | 334.52 | Calculated Property |
| η | 0.0011279 | Pa×s | 359.12 | Calculated Property |
| η | 0.0009108 | Pa×s | 383.73 | Calculated Property |
| η | 0.0007547 | Pa×s | 408.33 | Calculated Property |
| η | 0.0006388 | Pa×s | 432.94 | Calculated Property |
| η | 0.0005506 | Pa×s | 457.54 | Calculated Property |
| η | 0.0004817 | Pa×s | 482.15 | Calculated Property |
| η | 0.0004270 | Pa×s | 506.76 | Calculated Property |
| η | 0.0003828 | Pa×s | 531.36 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Butylindan.
Sources
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