- InChI
- InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3
- InChI Key
- LBNXAWYDQUGHGX-UHFFFAOYSA-N
- Formula
- C13H20
- SMILES
- CCCCCCCc1ccccc1
- Molecular Weight1
- 176.30
- CAS
- 1078-71-3
- Other Names
-
- 1-PHENYLHEPTANE
- HEPTYLBENZENE
- Heptane, 1(or 7)-phenyl-
- Heptane, 1-phenyl-
- n-Heptylbenzene
- ω : Acentric Factor.
- 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).
- 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).
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5300 | KDB | |
| ΔfG° | 170.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -75.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [64.20; 64.90] | kJ/mol |
|
| ΔvapH° | 64.20 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 64.90 | kJ/mol | NIST |
| log10WS | -4.37 | Crippen Calculated Property | |
| logPoct/wat | 4.200 | Crippen Calculated Property | |
| McVol | 170.270 | ml/mol | McGowan Calculated Property |
| Pc | 2200.00 | kPa | KDB |
| Inp | [231.70; 1396.00] |
|
|
| Inp | 1355.00 | NIST | |
| Inp | 1338.00 | NIST | |
| Inp | 1342.00 | NIST | |
| Inp | 1329.00 | NIST | |
| Inp | 1328.00 | NIST | |
| Inp | 1315.00 | NIST | |
| Inp | 1376.00 | NIST | |
| Inp | 1396.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Inp | 1337.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Inp | 1349.00 | NIST | |
| Inp | 1344.62 | NIST | |
| Inp | 1349.17 | NIST | |
| Inp | 1351.94 | NIST | |
| Inp | 1362.93 | NIST | |
| Inp | 1367.67 | NIST | |
| Inp | 1370.87 | NIST | |
| Inp | 1348.00 | NIST | |
| Inp | 1350.00 | NIST | |
| Inp | 1369.00 | NIST | |
| Inp | 1328.00 | NIST | |
| Inp | Outlier 231.70 | NIST | |
| Inp | 1337.00 | NIST | |
| Inp | 1351.94 | NIST | |
| Inp | 1328.00 | NIST | |
| Inp | 1348.00 | NIST | |
| Inp | 1350.00 | NIST | |
| Inp | Outlier 231.70 | NIST | |
| I | [1611.00; 1651.00] |
|
|
| I | 1638.00 | NIST | |
| I | 1634.00 | NIST | |
| I | 1612.00 | NIST | |
| I | 1611.00 | NIST | |
| I | 1612.00 | NIST | |
| I | 1613.00 | NIST | |
| I | 1625.00 | NIST | |
| I | 1636.00 | NIST | |
| I | 1651.00 | NIST | |
| I | 1612.00 | NIST | |
| Tboil | [418.30; 519.20] | K |
|
| Tboil | 519.20 | K | KDB |
| Tboil | 506.20 | K | NIST |
| Tboil | 518.70 | K | NIST |
| Tboil | 506.15 ± 3.00 | K | NIST |
| Tboil | 506.00 ± 6.00 | K | NIST |
| Tboil | 515.00 ± 6.00 | K | NIST |
| Tboil | 515.00 ± 4.00 | K | NIST |
| Tboil | 514.00 ± 5.00 | K | NIST |
| Tboil | 514.00 ± 5.00 | K | NIST |
| Tboil | 514.00 ± 6.00 | K | NIST |
| Tboil | 518.00 ± 6.00 | K | NIST |
| Tboil | 507.00 ± 6.00 | K | NIST |
| Tboil | 503.00 ± 5.00 | K | NIST |
| Tboil | Outlier 418.30 ± 0.60 | K | NIST |
| Tboil | 506.00 ± 4.00 | K | NIST |
| Tboil | 513.00 ± 5.00 | K | NIST |
| Tboil | 508.00 ± 5.00 | K | NIST |
| Tboil | 506.00 ± 6.00 | K | NIST |
| Tboil | 508.00 ± 6.00 | K | NIST |
| Tc | 713.50 | K | KDB |
| Tfus | 225.00 | K | KDB |
| Vc | 0.660 | m3/kmol | KDB |
| Zc | 0.2447570 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [392.80; 484.99] | J/mol×K | [523.52; 720.12] |
|
| Cp,gas | 392.80 | J/mol×K | 523.52 | Joback Calculated Property |
| Cp,gas | 410.37 | J/mol×K | 556.29 | Joback Calculated Property |
| Cp,gas | 427.01 | J/mol×K | 589.05 | Joback Calculated Property |
| Cp,gas | 442.75 | J/mol×K | 621.82 | Joback Calculated Property |
| Cp,gas | 457.64 | J/mol×K | 654.59 | Joback Calculated Property |
| Cp,gas | 471.71 | J/mol×K | 687.36 | Joback Calculated Property |
| Cp,gas | 484.99 | J/mol×K | 720.12 | Joback Calculated Property |
| Cp,liquid | 269.00 | J/mol×K | 294.00 | NIST |
| η | [0.0001944; 0.0038028] | Pa×s | [262.69; 523.52] |
|
| η | 0.0038028 | Pa×s | 262.69 | Joback Calculated Property |
| η | 0.0016294 | Pa×s | 306.16 | Joback Calculated Property |
| η | 0.0008620 | Pa×s | 349.63 | Joback Calculated Property |
| η | 0.0005250 | Pa×s | 393.11 | Joback Calculated Property |
| η | 0.0003529 | Pa×s | 436.58 | Joback Calculated Property |
| η | 0.0002549 | Pa×s | 480.05 | Joback Calculated Property |
| η | 0.0001944 | Pa×s | 523.52 | Joback Calculated Property |
| ΔvapH | [45.19; 54.00] | kJ/mol | [475.00; 519.20] |
|
| ΔvapH | 54.00 | kJ/mol | 475.00 | NIST |
| ΔvapH | 45.19 | kJ/mol | 519.20 | KDB |
| Pvap | [2.86e-03; 0.25] | kPa | [292.50; 353.50] |
|
| Pvap | 2.86e-03 | kPa | 292.50 | Vapour ... |
| Pvap | 3.47e-03 | kPa | 294.50 | Vapour ... |
| Pvap | 4.55e-03 | kPa | 297.50 | Vapour ... |
| Pvap | 5.85e-03 | kPa | 300.40 | Vapour ... |
| Pvap | 7.61e-03 | kPa | 303.40 | Vapour ... |
| Pvap | 9.55e-03 | kPa | 306.40 | Vapour ... |
| Pvap | 0.01 | kPa | 309.40 | Vapour ... |
| Pvap | 0.01 | kPa | 312.40 | Vapour ... |
| Pvap | 0.02 | kPa | 315.40 | Vapour ... |
| Pvap | 0.02 | kPa | 318.20 | Vapour ... |
| Pvap | 0.03 | kPa | 321.30 | Vapour ... |
| Pvap | 0.03 | kPa | 323.40 | Vapour ... |
| Pvap | 0.04 | kPa | 326.40 | Vapour ... |
| Pvap | 0.05 | kPa | 328.40 | Vapour ... |
| Pvap | 0.06 | kPa | 331.30 | Vapour ... |
| Pvap | 0.07 | kPa | 333.50 | Vapour ... |
| Pvap | 0.08 | kPa | 336.40 | Vapour ... |
| Pvap | 0.10 | kPa | 338.50 | Vapour ... |
| Pvap | 0.11 | kPa | 341.30 | Vapour ... |
| Pvap | 0.13 | kPa | 343.50 | Vapour ... |
| Pvap | 0.16 | kPa | 346.30 | Vapour ... |
| Pvap | 0.18 | kPa | 348.50 | Vapour ... |
| Pvap | 0.22 | kPa | 351.50 | Vapour ... |
| Pvap | 0.25 | kPa | 353.50 | Vapour ... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [385.57; 552.10] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.46941e+01 | |||
| Coefficient B | -4.48052e+03 | |||
| Coefficient C | -7.45680e+01 | |||
| Temperature range, min. | 385.57 | |||
| Temperature range, max. | 552.10 | |||
| Pvap | 1.33 | kPa | 385.57 | Calculated Property |
| Pvap | 2.99 | kPa | 404.07 | Calculated Property |
| Pvap | 6.17 | kPa | 422.58 | Calculated Property |
| Pvap | 11.81 | kPa | 441.08 | Calculated Property |
| Pvap | 21.26 | kPa | 459.58 | Calculated Property |
| Pvap | 36.25 | kPa | 478.09 | Calculated Property |
| Pvap | 58.99 | kPa | 496.59 | Calculated Property |
| Pvap | 92.13 | kPa | 515.09 | Calculated Property |
| Pvap | 138.83 | kPa | 533.60 | Calculated Property |
| Pvap | 202.64 | kPa | 552.10 | Calculated Property |
| Pvap | [2.94e-07; 2217.99] | kPa | [225.15; 714.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.48905e+02 | |||
| Coefficient B | -1.34446e+04 | |||
| Coefficient C | -1.93270e+01 | |||
| Coefficient D | 9.07112e-06 | |||
| Temperature range, min. | 225.15 | |||
| Temperature range, max. | 714.00 | |||
| Pvap | 2.94e-07 | kPa | 225.15 | Calculated Property |
| Pvap | 6.36e-04 | kPa | 279.47 | Calculated Property |
| Pvap | 0.07 | kPa | 333.78 | Calculated Property |
| Pvap | 1.52 | kPa | 388.10 | Calculated Property |
| Pvap | 12.77 | kPa | 442.42 | Calculated Property |
| Pvap | 60.01 | kPa | 496.73 | Calculated Property |
| Pvap | 195.01 | kPa | 551.05 | Calculated Property |
| Pvap | 500.22 | kPa | 605.37 | Calculated Property |
| Pvap | 1103.58 | kPa | 659.68 | Calculated Property |
| Pvap | 2217.99 | kPa | 714.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, heptyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Vapour pressures and enthalpies of vaporization of a series of the linear n-alkyl-benzenes
- Saturated Heat Capacities of Some Linear and Branched Alkylbenzenes between (332 and 401) K
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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