- InChI
- InChI=1S/C31H64/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/h3-31H2,1-2H3
- InChI Key
- IUJAMGNYPWYUPM-UHFFFAOYSA-N
- Formula
- C31H64
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
C - Molecular Weight1
- 436.84
- CAS
- 630-04-6
- Other Names
-
- n-hentriacontane
- untriacontane
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- Inp : Non-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 | 1.2530 | Relay (1.0) Calculated Property | |
| ΔfG° | 210.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -691.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 76.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 157.30 | kJ/mol | NIST |
| IE | 10.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.339 | Crippen Calculated Property | |
| McVol | 447.650 | ml/mol | McGowan Calculated Property |
| Pc | 568.52 | kPa | Joback Calculated Property |
| Inp | [472.70; 478.65] |
|
|
| Inp | 478.65 | NIST | |
| Inp | 472.70 | NIST | |
| Tboil | 642.30 | K | Relay (1.0) Calculated Property |
| Tc | 813.70 | K | Relay (1.0) Calculated Property |
| Tfus | [340.40; 342.00] | K |
|
| Tfus | 341.05 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 341.70 ± 1.00 | K | NIST |
| Tfus | 341.00 ± 1.00 | K | NIST |
| Tfus | 342.00 ± 1.00 | K | NIST |
| Tfus | Outlier 340.40 ± 0.10 | K | NIST |
| Tfus | 341.20 ± 0.60 | K | NIST |
| Tfus | 341.60 ± 0.60 | K | NIST |
| Tfus | 341.00 ± 2.00 | K | NIST |
| Tfus | 341.70 ± 1.00 | K | NIST |
| Tfus | 340.90 ± 0.50 | K | NIST |
| Tfus | 342.00 ± 2.00 | K | NIST |
| Tfus | 342.00 ± 2.00 | K | NIST |
| Tfus | 342.00 ± 2.00 | K | NIST |
| Tfus | 341.20 ± 4.00 | K | NIST |
| Tfus | 342.00 ± 2.00 | K | NIST |
| Tfus | 341.60 ± 4.00 | K | NIST |
| Tfus | 341.30 ± 3.00 | K | NIST |
| Tfus | 341.30 ± 5.00 | K | NIST |
| Tfus | 341.30 ± 3.00 | K | NIST |
| Vc | 1.819 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 912.00 | J/mol×K | 323.00 | NIST |
| ΔvapH | [113.80; 157.30] | kJ/mol | [298.15; 617.50] |
|
| ΔvapH | 157.30 | kJ/mol | 298.15 | Vapor Pressures and Vaporization Enthalpies of the n-Alkanes from C31 to C38 at T = 298.15 K by Correlation Gas Chromatography |
| ΔvapH | 146.00 ± 2.00 | kJ/mol | 453.50 | NIST |
| ΔvapH | 113.80 | kJ/mol | 617.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [663.11; 1618.65] | 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 | -2.52910e+01 | |||
| Coefficient B | 2.94884e+00 | |||
| Coefficient C | -1.66260e-03 | |||
| Coefficient D | 3.57700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 663.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 825.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 971.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1101.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1217.51 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1319.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1410.10 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1489.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1558.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1618.65 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0076377; 0.0000361] | Pa×s | [341.49; 787.39] |
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 | -1.43314e+01 | |||
| Coefficient B | 3.22940e+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. | 341.49 | |||
| Temperature range, max. | 787.39 | |||
| η | 0.0076377 | Pa×s | 341.49 | Calculated Property |
| η | 0.0023047 | Pa×s | 391.04 | Calculated Property |
| η | 0.0009105 | Pa×s | 440.58 | Calculated Property |
| η | 0.0004340 | Pa×s | 490.12 | Calculated Property |
| η | 0.0002370 | Pa×s | 539.67 | Calculated Property |
| η | 0.0001433 | Pa×s | 589.21 | Calculated Property |
| η | 0.0000937 | Pa×s | 638.76 | Calculated Property |
| η | 0.0000651 | Pa×s | 688.30 | Calculated Property |
| η | 0.0000475 | Pa×s | 737.84 | Calculated Property |
| η | 0.0000361 | Pa×s | 787.39 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [562.42; 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 | 1.53473e+01 | |||
| Coefficient B | -6.29509e+03 | |||
| Coefficient C | -1.44410e+02 | |||
| Temperature range, min. | 562.42 | |||
| Temperature range, max. | 771.67 | |||
| Pvap | 1.33 | kPa | 562.42 | Calculated Property |
| Pvap | 2.95 | kPa | 585.67 | Calculated Property |
| Pvap | 6.02 | kPa | 608.92 | Calculated Property |
| Pvap | 11.49 | kPa | 632.17 | Calculated Property |
| Pvap | 20.66 | kPa | 655.42 | Calculated Property |
| Pvap | 35.32 | kPa | 678.67 | Calculated Property |
| Pvap | 57.73 | kPa | 701.92 | Calculated Property |
| Pvap | 90.73 | kPa | 725.17 | Calculated Property |
| Pvap | 137.70 | kPa | 748.42 | Calculated Property |
| Pvap | 202.64 | kPa | 771.67 | Calculated Property |
Similar Compounds
Find more compounds similar to Hentriacontane.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapor Pressures and Vaporization Enthalpies of the n-Alkanes from C31 to C38 at T = 298.15 K by Correlation Gas Chromatography
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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