- InChI
- InChI=1S/C41H82/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-41H2,2H3
- InChI Key
- IBBOSBCTWXFHQW-UHFFFAOYSA-N
- Formula
- C41H82
- SMILES
-
C=CCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCCCCCCCCCC - Molecular Weight1
- 575.09
- CAS
- 66576-37-2
- 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 | 1.5619 | Relay (1.0) Calculated Property | |
| ΔfG° | 382.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -783.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 100.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 202.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -14.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 16.016 | Crippen Calculated Property | |
| McVol | 584.250 | ml/mol | McGowan Calculated Property |
| Pc | 382.66 | kPa | Joback Calculated Property |
| Tboil | 732.51 | K | Relay (1.0) Calculated Property |
| Tc | 882.62 | K | Relay (1.0) Calculated Property |
| Tfus | 333.98 | K | Relay (1.0) Calculated Property |
| Vc | 2.299 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 135.80 | kJ/mol | 660.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [865.44; 2106.05] | 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 | -3.73720e+01 | |||
| Coefficient B | 3.87882e+00 | |||
| Coefficient C | -2.22950e-03 | |||
| Coefficient D | 4.94100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 865.44 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1077.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1267.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1437.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1587.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1719.89 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1836.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1938.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 2028.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2106.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002149; 0.0000057] | Pa×s | [550.07; 1070.54] |
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 | -1.59094e+01 | |||
| Coefficient B | 4.10584e+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. | 550.07 | |||
| Temperature range, max. | 1070.54 | |||
| η | 0.0002149 | Pa×s | 550.07 | Calculated Property |
| η | 0.0001057 | Pa×s | 607.90 | Calculated Property |
| η | 0.0000588 | Pa×s | 665.73 | Calculated Property |
| η | 0.0000359 | Pa×s | 723.56 | Calculated Property |
| η | 0.0000236 | Pa×s | 781.39 | Calculated Property |
| η | 0.0000164 | Pa×s | 839.22 | Calculated Property |
| η | 0.0000120 | Pa×s | 897.05 | Calculated Property |
| η | 0.0000091 | Pa×s | 954.88 | Calculated Property |
| η | 0.0000071 | Pa×s | 1012.71 | Calculated Property |
| η | 0.0000057 | Pa×s | 1070.54 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [626.12; 868.08] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.40581e+01 | |||
| Coefficient B | -5.80107e+03 | |||
| Coefficient C | -2.04850e+02 | |||
| Temperature range, min. | 626.12 | |||
| Temperature range, max. | 868.08 | |||
| Pvap | 1.33 | kPa | 626.12 | Calculated Property |
| Pvap | 3.05 | kPa | 653.00 | Calculated Property |
| Pvap | 6.34 | kPa | 679.89 | Calculated Property |
| Pvap | 12.19 | kPa | 706.77 | Calculated Property |
| Pvap | 21.93 | kPa | 733.66 | Calculated Property |
| Pvap | 37.29 | kPa | 760.54 | Calculated Property |
| Pvap | 60.37 | kPa | 787.43 | Calculated Property |
| Pvap | 93.67 | kPa | 814.31 | Calculated Property |
| Pvap | 140.04 | kPa | 841.20 | Calculated Property |
| Pvap | 202.64 | kPa | 868.08 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hentetracontene.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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