- InChI
- InChI=1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
- InChI Key
- BJQWYEJQWHSSCJ-UHFFFAOYSA-N
- Formula
- C27H56
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCCCCC
- Molecular Weight1
- 380.73
- CAS
- 593-49-7
- Other Names
-
- n-Heptacosane
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 |
|---|---|---|---|
| ΔfG° | 176.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -600.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.69 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 196.00 ± 30.00 | kJ/mol | NIST |
| ΔvapH° | 75.70 | kJ/mol | Joback Calculated Property |
| log10WS | -11.12 | Crippen Calculated Property | |
| logPoct/wat | 10.779 | Crippen Calculated Property | |
| McVol | 391.290 | ml/mol | McGowan Calculated Property |
| Pc | 688.89 | kPa | Joback Calculated Property |
| Inp | [426.00; 447.80] |
|
|
| Inp | 429.45 | NIST | |
| Inp | 447.80 | NIST | |
| Inp | 426.00 | NIST | |
| Inp | 426.00 | NIST | |
| Tboil | 817.16 | K | Joback Calculated Property |
| Tc | 1000.84 | K | Joback Calculated Property |
| Tfus | 394.05 | K | Joback Calculated Property |
| Ttriple | 332.00 ± 0.10 | K | NIST |
| Vc | 1.548 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1281.81; 1412.80] | J/mol×K | [817.16; 1000.84] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 1280 1300 1320 1340 1360 1380 1400 1420 850 900 950 1000 | ||||
| Cp,gas | 1281.81 | J/mol×K | 817.16 | Joback Calculated Property |
| Cp,gas | 1306.54 | J/mol×K | 847.77 | Joback Calculated Property |
| Cp,gas | 1330.04 | J/mol×K | 878.39 | Joback Calculated Property |
| Cp,gas | 1352.36 | J/mol×K | 909.00 | Joback Calculated Property |
| Cp,gas | 1373.56 | J/mol×K | 939.61 | Joback Calculated Property |
| Cp,gas | 1393.68 | J/mol×K | 970.23 | Joback Calculated Property |
| Cp,gas | 1412.80 | J/mol×K | 1000.84 | Joback Calculated Property |
| Cp,solid | 828.00 | J/mol×K | 313.00 | NIST |
| η | [0.0000379; 0.0016072] | Pa×s | [394.05; 817.16] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 2.00e-4 4.00e-4 6.00e-4 8.00e-4 1.00e-3 1.20e-3 1.40e-3 1.60e-3 400 600 800 | ||||
| η | 0.0016072 | Pa×s | 394.05 | Joback Calculated Property |
| η | 0.0005356 | Pa×s | 464.57 | Joback Calculated Property |
| η | 0.0002384 | Pa×s | 535.09 | Joback Calculated Property |
| η | 0.0001282 | Pa×s | 605.61 | Joback Calculated Property |
| η | 0.0000784 | Pa×s | 676.12 | Joback Calculated Property |
| η | 0.0000526 | Pa×s | 746.64 | Joback Calculated Property |
| η | 0.0000379 | Pa×s | 817.16 | Joback Calculated Property |
| ΔfusH | [2.26; 62.80] | kJ/mol | [318.00; 332.10] |
|
|
T(K) Enthalpy of fusion at a given temperature (kJ/mol) 0 10 20 30 40 50 60 320 325 330 | ||||
| ΔfusH | 2.26 | kJ/mol | 318.00 | NIST |
| ΔfusH | 26.28 | kJ/mol | 325.40 | NIST |
| ΔfusH | 62.80 | kJ/mol | 331.60 | NIST |
| ΔfusH | 59.05 | kJ/mol | 332.10 | NIST |
| ΔfusH | 59.05 | kJ/mol | 332.10 | NIST |
| ΔvapH | [94.20; 135.60] | kJ/mol | [298.15; 584.00] |
|
|
T(K) Enthalpy of vaporization at a given temperature (kJ/mol) 100 110 120 130 300 400 500 | ||||
| ΔvapH | 135.60 | kJ/mol | 298.15 | Vapor P... |
| ΔvapH | 132.00 ± 1.00 | kJ/mol | 421.00 | NIST |
| ΔvapH | 116.90 ± 3.00 | kJ/mol | 421.00 | NIST |
| ΔvapH | 94.20 | kJ/mol | 539.00 | NIST |
| ΔvapH | 104.30 | kJ/mol | 584.00 | NIST |
| Pvap | [5.90e-04; 0.04] | kPa | [401.68; 462.27] |
|
|
T(K) Vapor pressure (kPa) 0 5.00e-3 0.01 0.02 0.02 0.03 0.03 0.04 0.04 420 440 460 | ||||
| Pvap | 5.92e-04 | kPa | 401.68 | Experim... |
| Pvap | 5.90e-04 | kPa | 401.69 | Experim... |
| Pvap | 1.29e-03 | kPa | 411.78 | Experim... |
| Pvap | 1.30e-03 | kPa | 411.81 | Experim... |
| Pvap | 2.69e-03 | kPa | 421.93 | Experim... |
| Pvap | 2.72e-03 | kPa | 421.95 | Experim... |
| Pvap | 5.56e-03 | kPa | 432.03 | Experim... |
| Pvap | 0.01 | kPa | 442.18 | Experim... |
| Pvap | 0.02 | kPa | 452.27 | Experim... |
| Pvap | 0.04 | kPa | 462.27 | Experim... |
| Pvap | 0.04 | kPa | 462.27 | Experim... |
| ΔfusS | [7.11; 177.82] | J/mol×K | [318.00; 332.10] |
|
| ΔfusS | 7.11 | J/mol×K | 318.00 | NIST |
| ΔfusS | 80.75 | J/mol×K | 325.40 | NIST |
| ΔfusS | 177.82 | J/mol×K | 332.10 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 543.20 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.07; 101.55] | kPa | [473.15; 695.15] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 3.45690e+02 | |||
| Coefficient B | -3.16699e+04 | |||
| Coefficient C | -4.62242e+01 | |||
| Coefficient D | 1.44570e-05 | |||
| Temperature range, min. | 473.15 | |||
| Temperature range, max. | 695.15 | |||
|
T(K) Vapor pressure (kPa) 0 20 40 60 80 100 500 600 700 | ||||
| Pvap | 0.07 | kPa | 473.15 | Calculated Property |
| Pvap | 0.24 | kPa | 497.82 | Calculated Property |
| Pvap | 0.76 | kPa | 522.48 | Calculated Property |
| Pvap | 2.02 | kPa | 547.15 | Calculated Property |
| Pvap | 4.77 | kPa | 571.82 | Calculated Property |
| Pvap | 10.15 | kPa | 596.48 | Calculated Property |
| Pvap | 19.84 | kPa | 621.15 | Calculated Property |
| Pvap | 36.11 | kPa | 645.82 | Calculated Property |
| Pvap | 62.02 | kPa | 670.48 | Calculated Property |
| Pvap | 101.55 | kPa | 695.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptacosane.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Vapor Pressures and Vaporization Enthalpies of the n-Alkanes from C21 to C30 at T = 298.15 K by Correlation Gas Chromatography
- Experimental Vapor Pressures of Six n-Alkanes (C21, C23, C25, C27, C29, C30) in the Temperature Range between 350 K and 460 K
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.