- InChI
- InChI=1S/C13H26/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h13H,2-12H2,1H3
- InChI Key
- MSTLSCNJAHAQNU-UHFFFAOYSA-N
- Formula
- C13H26
- SMILES
- CCCCCCCC1CCCCC1
- Molecular Weight1
- 182.35
- CAS
- 5617-41-4
- Other Names
-
- 1-Cyclohexylheptane
- Cyclohexane, heptyl-
- Cyclohexane, n-heptyl-
- Heptane, 1-cyclohexyl-
- n-Heptyl cyclohexane
- n-heptylcyclohexane
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid 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).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (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).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (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 |
|---|---|---|---|
| ΔcH°liquid | [-8556.60; -8478.50] | kJ/mol |
|
| ΔcH°liquid | -8556.60 ± 1.80 | kJ/mol | NIST |
| ΔcH°liquid | -8478.50 ± 2.30 | kJ/mol | NIST |
| ΔfG° | 83.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -275.00 ± 1.90 | kJ/mol | NIST |
| ΔfH°liquid | -353.00 ± 2.30 | kJ/mol | NIST |
| ΔfusH° | 21.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [63.72; 64.90] | kJ/mol |
|
| ΔvapH° | 63.72 ± 0.54 | kJ/mol | NIST |
| ΔvapH° | 64.90 | kJ/mol | NIST |
| log10WS | -4.92 | Crippen Calculated Property | |
| logPoct/wat | 4.927 | Crippen Calculated Property | |
| McVol | 183.170 | ml/mol | McGowan Calculated Property |
| Pc | 1956.14 | kPa | Joback Calculated Property |
| Inp | [1316.00; 1349.58] |
|
|
| Inp | Outlier 1316.00 | NIST | |
| Inp | 1346.00 | NIST | |
| Inp | 1322.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1343.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1328.00 | NIST | |
| Inp | 1335.38 | NIST | |
| Inp | 1339.99 | NIST | |
| Inp | 1342.75 | NIST | |
| Inp | 1341.77 | NIST | |
| Inp | 1346.47 | NIST | |
| Inp | 1349.58 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1341.77 | NIST | |
| S°liquid | 446.90 | J/mol×K | NIST |
| Tboil | 510.00 ± 4.00 | K | NIST |
| Tc | 706.34 | K | Joback Calculated Property |
| Tfus | 232.00 ± 1.50 | K | NIST |
| Ttriple | 232.80 ± 0.20 | K | NIST |
| Vc | 0.697 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.48; 559.32] | J/mol×K | [516.39; 706.34] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 440 460 480 500 520 540 560 550 600 650 700 | ||||
| Cp,gas | 445.48 | J/mol×K | 516.39 | Joback Calculated Property |
| Cp,gas | 466.93 | J/mol×K | 548.05 | Joback Calculated Property |
| Cp,gas | 487.34 | J/mol×K | 579.71 | Joback Calculated Property |
| Cp,gas | 506.76 | J/mol×K | 611.37 | Joback Calculated Property |
| Cp,gas | 525.21 | J/mol×K | 643.03 | Joback Calculated Property |
| Cp,gas | 542.72 | J/mol×K | 674.68 | Joback Calculated Property |
| Cp,gas | 559.32 | J/mol×K | 706.34 | Joback Calculated Property |
| Cp,liquid | 363.20 | J/mol×K | 298.15 | NIST |
| η | [0.0002170; 0.0079072] | Pa×s | [243.65; 516.39] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 1.00e-3 2.00e-3 3.00e-3 4.00e-3 5.00e-3 6.00e-3 7.00e-3 8.00e-3 300 400 500 | ||||
| η | 0.0079072 | Pa×s | 243.65 | Joback Calculated Property |
| η | 0.0027110 | Pa×s | 289.11 | Joback Calculated Property |
| η | 0.0012433 | Pa×s | 334.56 | Joback Calculated Property |
| η | 0.0006871 | Pa×s | 380.02 | Joback Calculated Property |
| η | 0.0004310 | Pa×s | 425.48 | Joback Calculated Property |
| η | 0.0002958 | Pa×s | 470.93 | Joback Calculated Property |
| η | 0.0002170 | Pa×s | 516.39 | Joback Calculated Property |
| ΔfusH | [22.22; 22.23] | kJ/mol | [232.80; 232.80] |
|
| ΔfusH | 22.22 | kJ/mol | 232.80 | NIST |
| ΔfusH | 22.22 | kJ/mol | 232.80 | NIST |
| ΔfusH | 22.23 | kJ/mol | 232.80 | NIST |
| ρl | [754.40; 814.51] | kg/m3 | [288.15; 373.15] |
|
|
T(K) Liquid Density (kg/m3) 750 760 770 780 790 800 810 820 300 320 340 360 | ||||
| ρl | 814.51 | kg/m3 | 288.15 | Thermop... |
| ρl | 810.99 | kg/m3 | 293.15 | Densiti... |
| ρl | 811.00 | kg/m3 | 293.15 | Thermop... |
| ρl | 807.49 | kg/m3 | 298.15 | Thermop... |
| ρl | 803.96 | kg/m3 | 303.15 | Densiti... |
| ρl | 803.99 | kg/m3 | 303.15 | Thermop... |
| ρl | 803.98 | kg/m3 | 303.15 | Thermop... |
| ρl | 796.93 | kg/m3 | 313.15 | Densiti... |
| ρl | 796.95 | kg/m3 | 313.15 | Thermop... |
| ρl | 789.89 | kg/m3 | 323.15 | Densiti... |
| ρl | 789.91 | kg/m3 | 323.15 | Thermop... |
| ρl | 782.85 | kg/m3 | 333.15 | Thermop... |
| ρl | 782.83 | kg/m3 | 333.15 | Densiti... |
| ρl | 775.80 | kg/m3 | 343.15 | Densiti... |
| ρl | 768.70 | kg/m3 | 353.15 | Densiti... |
| ρl | 761.60 | kg/m3 | 363.15 | Densiti... |
| ρl | 754.40 | kg/m3 | 373.15 | Densiti... |
| ΔfusS | 95.50 | J/mol×K | 232.80 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [384.87; 540.56] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48678e+01 | |||
| Coefficient B | -4.31770e+03 | |||
| Coefficient C | -8.87370e+01 | |||
| Temperature range, min. | 384.87 | |||
| Temperature range, max. | 540.56 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 400 450 500 | ||||
| Pvap | 1.33 | kPa | 384.87 | Calculated Property |
| Pvap | 2.98 | kPa | 402.17 | Calculated Property |
| Pvap | 6.13 | kPa | 419.47 | Calculated Property |
| Pvap | 11.72 | kPa | 436.77 | Calculated Property |
| Pvap | 21.10 | kPa | 454.07 | Calculated Property |
| Pvap | 36.00 | kPa | 471.36 | Calculated Property |
| Pvap | 58.65 | kPa | 488.66 | Calculated Property |
| Pvap | 91.76 | kPa | 505.96 | Calculated Property |
| Pvap | 138.54 | kPa | 523.26 | Calculated Property |
| Pvap | 202.67 | kPa | 540.56 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptylcyclohexane.
Mixtures
Sources
- Crippen Method
- Crippen Method
- Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
- Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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