- InChI
- InChI=1S/C33H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-33H2,2H3
- InChI Key
- DRJAAODMPBOZLH-UHFFFAOYSA-N
- Formula
- C33H66
- SMILES
-
C=CCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCC - Molecular Weight1
- 462.88
- CAS
- 61868-11-9
- 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 | 1.2815 | Relay (1.0) Calculated Property | |
| ΔfG° | 314.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -617.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 79.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 165.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.895 | Crippen Calculated Property | |
| McVol | 471.530 | ml/mol | McGowan Calculated Property |
| Pc | 529.93 | kPa | Joback Calculated Property |
| Tboil | 683.14 | K | Relay (1.0) Calculated Property |
| Tc | 838.65 | K | Relay (1.0) Calculated Property |
| Tfus | 322.41 | K | Relay (1.0) Calculated Property |
| Vc | 1.865 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 121.80 | kJ/mol | 613.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [695.73; 1693.32] | 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 | -3.01000e+01 | |||
| Coefficient B | 3.11882e+00 | |||
| Coefficient C | -1.79430e-03 | |||
| Coefficient D | 3.98900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 695.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 866.36 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1019.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1155.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1275.96 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1382.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1476.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1558.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1630.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1693.32 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0007138; 0.0000276] | Pa×s | [459.91; 830.61] |
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 | -1.45345e+01 | |||
| Coefficient B | 3.35256e+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. | 459.91 | |||
| Temperature range, max. | 830.61 | |||
| η | 0.0007138 | Pa×s | 459.91 | Calculated Property |
| η | 0.0003921 | Pa×s | 501.10 | Calculated Property |
| η | 0.0002359 | Pa×s | 542.29 | Calculated Property |
| η | 0.0001524 | Pa×s | 583.48 | Calculated Property |
| η | 0.0001044 | Pa×s | 624.67 | Calculated Property |
| η | 0.0000749 | Pa×s | 665.86 | Calculated Property |
| η | 0.0000558 | Pa×s | 707.05 | Calculated Property |
| η | 0.0000430 | Pa×s | 748.23 | Calculated Property |
| η | 0.0000341 | Pa×s | 789.42 | Calculated Property |
| η | 0.0000276 | Pa×s | 830.61 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [574.42; 792.60] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.51171e+01 | |||
| Coefficient B | -6.31499e+03 | |||
| Coefficient C | -1.48580e+02 | |||
| Temperature range, min. | 574.42 | |||
| Temperature range, max. | 792.60 | |||
| Pvap | 1.33 | kPa | 574.42 | Calculated Property |
| Pvap | 2.96 | kPa | 598.66 | Calculated Property |
| Pvap | 6.07 | kPa | 622.90 | Calculated Property |
| Pvap | 11.60 | kPa | 647.15 | Calculated Property |
| Pvap | 20.87 | kPa | 671.39 | Calculated Property |
| Pvap | 35.64 | kPa | 695.63 | Calculated Property |
| Pvap | 58.16 | kPa | 719.87 | Calculated Property |
| Pvap | 91.21 | kPa | 744.12 | Calculated Property |
| Pvap | 138.10 | kPa | 768.36 | Calculated Property |
| Pvap | 202.65 | kPa | 792.60 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Tritriacontene.
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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