- InChI
- InChI=1S/C35H70/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-35H2,2H3
- InChI Key
- NOCIDIARFGFRSA-UHFFFAOYSA-N
- Formula
- C35H70
- SMILES
-
C=CCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCCCC - Molecular Weight1
- 490.93
- CAS
- 61868-13-1
- 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 | 1.3516 | Relay (1.0) Calculated Property | |
| ΔfG° | 331.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -659.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 85.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 174.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.675 | Crippen Calculated Property | |
| McVol | 499.710 | ml/mol | McGowan Calculated Property |
| Pc | 486.02 | kPa | Joback Calculated Property |
| Tboil | 695.50 | K | Relay (1.0) Calculated Property |
| Tc | 849.97 | K | Relay (1.0) Calculated Property |
| Tfus | 325.71 | K | Relay (1.0) Calculated Property |
| Vc | 1.973 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 125.50 | kJ/mol | 626.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [738.15; 1796.50] | 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 | -3.19180e+01 | |||
| Coefficient B | 3.30882e+00 | |||
| Coefficient C | -1.90310e-03 | |||
| Coefficient D | 4.22700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 738.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 919.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1081.26 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1225.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1353.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1466.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1566.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1653.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1729.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1796.50 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005344; 0.0000192] | Pa×s | [482.45; 882.36] |
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 | -1.48737e+01 | |||
| Coefficient B | 3.54088e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 482.45 | |||
| Temperature range, max. | 882.36 | |||
| η | 0.0005344 | Pa×s | 482.45 | Calculated Property |
| η | 0.0002878 | Pa×s | 526.88 | Calculated Property |
| η | 0.0001706 | Pa×s | 571.32 | Calculated Property |
| η | 0.0001091 | Pa×s | 615.75 | Calculated Property |
| η | 0.0000741 | Pa×s | 660.19 | Calculated Property |
| η | 0.0000528 | Pa×s | 704.62 | Calculated Property |
| η | 0.0000392 | Pa×s | 749.05 | Calculated Property |
| η | 0.0000301 | Pa×s | 793.49 | Calculated Property |
| η | 0.0000238 | Pa×s | 837.92 | Calculated Property |
| η | 0.0000192 | Pa×s | 882.36 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [587.22; 812.47] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.49954e+01 | |||
| Coefficient B | -6.38603e+03 | |||
| Coefficient C | -1.53028e+02 | |||
| Temperature range, min. | 587.22 | |||
| Temperature range, max. | 812.47 | |||
| Pvap | 1.33 | kPa | 587.22 | Calculated Property |
| Pvap | 2.97 | kPa | 612.25 | Calculated Property |
| Pvap | 6.10 | kPa | 637.28 | Calculated Property |
| Pvap | 11.66 | kPa | 662.30 | Calculated Property |
| Pvap | 20.98 | kPa | 687.33 | Calculated Property |
| Pvap | 35.81 | kPa | 712.36 | Calculated Property |
| Pvap | 58.39 | kPa | 737.39 | Calculated Property |
| Pvap | 91.47 | kPa | 762.41 | Calculated Property |
| Pvap | 138.30 | kPa | 787.44 | Calculated Property |
| Pvap | 202.64 | kPa | 812.47 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Pentatriacontene.
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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