- InChI
- InChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,15,17H,1,4-14,16H2,2H3/b17-15-
- InChI Key
- ZCNSOBXQEHNQMJ-ICFOKQHNSA-N
- Formula
- C17H32
- SMILES
- C=CCCCCCC=CCCCCCCCC
- Molecular Weight1
- 236.44
- 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).
- Ip : 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 | 0.6502 | Relay (1.0) Calculated Property | |
| ΔfG° | 260.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -236.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.430 | Crippen Calculated Property | |
| McVol | 241.790 | ml/mol | McGowan Calculated Property |
| Pc | 1316.56 | kPa | Joback Calculated Property |
| Ip | [1758.00; 1758.00] |
|
|
| Ip | 1758.00 | NIST | |
| Ip | 1758.00 | NIST | |
| Tboil | 562.38 | K | Relay (1.0) Calculated Property |
| Tc | 727.61 | K | Relay (1.0) Calculated Property |
| Tfus | 253.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.916 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [342.30; 837.28] | 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 | -2.97380e+01 | |||
| Coefficient B | 1.61882e+00 | |||
| Coefficient C | -1.00770e-03 | |||
| Coefficient D | 2.55900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 342.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 428.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 504.44 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 571.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 631.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 683.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 729.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 769.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 805.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 837.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0042107; 0.0001729] | Pa×s | [274.51; 528.88] |
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 | -1.21083e+01 | |||
| Coefficient B | 1.82224e+03 | |||
| 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. | 274.51 | |||
| Temperature range, max. | 528.88 | |||
| η | 0.0042107 | Pa×s | 274.51 | Calculated Property |
| η | 0.0022658 | Pa×s | 302.77 | Calculated Property |
| η | 0.0013554 | Pa×s | 331.04 | Calculated Property |
| η | 0.0008790 | Pa×s | 359.30 | Calculated Property |
| η | 0.0006073 | Pa×s | 387.57 | Calculated Property |
| η | 0.0004412 | Pa×s | 415.83 | Calculated Property |
| η | 0.0003338 | Pa×s | 444.09 | Calculated Property |
| η | 0.0002611 | Pa×s | 472.36 | Calculated Property |
| η | 0.0002100 | Pa×s | 500.62 | Calculated Property |
| η | 0.0001729 | Pa×s | 528.88 | Calculated Property |
Similar Compounds
Find more compounds similar to Tetrahydroaplotaxene.
Sources
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