- InChI
- InChI=1S/C31H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-31H2,2H3
- InChI Key
- YITPJHKSILJOFQ-UHFFFAOYSA-N
- Formula
- C31H62
- SMILES
-
C=CCCCCCCCCCCCCCCCCCCCCCCCCCCC
CC - Molecular Weight1
- 434.82
- CAS
- 18435-54-6
- 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 | 1.2114 | Relay (1.0) Calculated Property | |
| ΔfG° | 297.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -576.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 74.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 155.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.115 | Crippen Calculated Property | |
| McVol | 443.350 | ml/mol | McGowan Calculated Property |
| Pc | 580.08 | kPa | Joback Calculated Property |
| Tboil | 670.75 | K | Relay (1.0) Calculated Property |
| Tc | 827.10 | K | Relay (1.0) Calculated Property |
| Tfus | 318.97 | K | Relay (1.0) Calculated Property |
| Vc | 1.756 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 117.70 | kJ/mol | 599.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [653.30; 1590.14] | 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 | -2.82820e+01 | |||
| Coefficient B | 2.92882e+00 | |||
| Coefficient C | -1.68550e-03 | |||
| Coefficient D | 3.75100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 653.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 813.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 956.95 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1084.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1198.14 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1298.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1386.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1463.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1531.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1590.14 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0009450; 0.0000388] | Pa×s | [437.37; 782.99] |
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 | -1.41990e+01 | |||
| Coefficient B | 3.16424e+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. | 437.37 | |||
| Temperature range, max. | 782.99 | |||
| η | 0.0009450 | Pa×s | 437.37 | Calculated Property |
| η | 0.0005270 | Pa×s | 475.77 | Calculated Property |
| η | 0.0003207 | Pa×s | 514.17 | Calculated Property |
| η | 0.0002091 | Pa×s | 552.58 | Calculated Property |
| η | 0.0001441 | Pa×s | 590.98 | Calculated Property |
| η | 0.0001040 | Pa×s | 629.38 | Calculated Property |
| η | 0.0000779 | Pa×s | 667.78 | Calculated Property |
| η | 0.0000602 | Pa×s | 706.18 | Calculated Property |
| η | 0.0000478 | Pa×s | 744.59 | Calculated Property |
| η | 0.0000388 | Pa×s | 782.99 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [561.62; 771.67] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.52966e+01 | |||
| Coefficient B | -6.26607e+03 | |||
| Coefficient C | -1.44132e+02 | |||
| Temperature range, min. | 561.62 | |||
| Temperature range, max. | 771.67 | |||
| Pvap | 1.33 | kPa | 561.62 | Calculated Property |
| Pvap | 2.95 | kPa | 584.96 | Calculated Property |
| Pvap | 6.03 | kPa | 608.30 | Calculated Property |
| Pvap | 11.51 | kPa | 631.64 | Calculated Property |
| Pvap | 20.71 | kPa | 654.98 | Calculated Property |
| Pvap | 35.39 | kPa | 678.31 | Calculated Property |
| Pvap | 57.83 | kPa | 701.65 | Calculated Property |
| Pvap | 90.83 | kPa | 724.99 | Calculated Property |
| Pvap | 137.79 | kPa | 748.33 | Calculated Property |
| Pvap | 202.64 | kPa | 771.67 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hentriacontene.
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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