- InChI
- InChI=1S/C10H22/c1-5-9(4)8-10(6-2)7-3/h9-10H,5-8H2,1-4H3
- InChI Key
- VXARVYMIZCGZGG-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCC(C)CC(CC)CC
- Molecular Weight1
- 142.28
- CAS
- 52896-90-9
- Other Names
-
- 3-Ethyl-5-methylheptane
- 3-Methyl-5-ethylheptane
- 5-Ethyl-3-methylheptane
- 5-methyl-3-ethyl-heptane
- Heptane, 5-ethyl-3-methyl
- 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).
- 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 | 0.4121 | Relay (1.0) Calculated Property | |
| ΔfG° | 28.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -262.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.70 | kJ/mol | NIST |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.859 | Crippen Calculated Property | |
| McVol | 151.760 | ml/mol | McGowan Calculated Property |
| Pc | 2139.38 | kPa | Joback Calculated Property |
| Inp | [924.00; 949.30] |
|
|
| Inp | 928.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 949.30 | NIST | |
| Inp | 938.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 928.00 | NIST | |
| Inp | 949.30 | NIST | |
| Tboil | 431.82 | K | Relay (1.0) Calculated Property |
| Tc | 605.99 | K | Relay (1.0) Calculated Property |
| Tfus | 163.28 | K | Relay (1.0) Calculated Property |
| Vc | 0.550 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.99; 536.31] | 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 | -9.56600e+00 | |||
| Coefficient B | 9.65680e-01 | |||
| Coefficient C | -5.26600e-04 | |||
| Coefficient D | 1.06800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 216.99 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 270.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 319.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 362.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 401.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 435.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 466.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 492.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 516.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 536.31 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0214146; 0.0002326] | Pa×s | [172.46; 418.04] |
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 | -1.15422e+01 | |||
| Coefficient B | 1.32768e+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. | 172.46 | |||
| Temperature range, max. | 418.04 | |||
| η | 0.0214146 | Pa×s | 172.46 | Calculated Property |
| η | 0.0074813 | Pa×s | 199.75 | Calculated Property |
| η | 0.0033654 | Pa×s | 227.03 | Calculated Property |
| η | 0.0017970 | Pa×s | 254.32 | Calculated Property |
| η | 0.0010836 | Pa×s | 281.61 | Calculated Property |
| η | 0.0007145 | Pa×s | 308.89 | Calculated Property |
| η | 0.0005040 | Pa×s | 336.18 | Calculated Property |
| η | 0.0003747 | Pa×s | 363.47 | Calculated Property |
| η | 0.0002904 | Pa×s | 390.75 | Calculated Property |
| η | 0.0002326 | Pa×s | 418.04 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [316.71; 460.07] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42104e+01 | |||
| Coefficient B | -3.53536e+03 | |||
| Coefficient C | -6.27880e+01 | |||
| Temperature range, min. | 316.71 | |||
| Temperature range, max. | 460.07 | |||
| Pvap | 1.33 | kPa | 316.71 | Calculated Property |
| Pvap | 3.03 | kPa | 332.64 | Calculated Property |
| Pvap | 6.29 | kPa | 348.57 | Calculated Property |
| Pvap | 12.09 | kPa | 364.50 | Calculated Property |
| Pvap | 21.76 | kPa | 380.43 | Calculated Property |
| Pvap | 37.03 | kPa | 396.35 | Calculated Property |
| Pvap | 60.03 | kPa | 412.28 | Calculated Property |
| Pvap | 93.29 | kPa | 428.21 | Calculated Property |
| Pvap | 139.74 | kPa | 444.14 | Calculated Property |
| Pvap | 202.66 | kPa | 460.07 | Calculated Property |
| Pvap | [1.36; 2228.62] | kPa | [317.15; 606.60] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.03190e+02 | |||
| Coefficient B | -9.15941e+03 | |||
| Coefficient C | -1.29816e+01 | |||
| Coefficient D | 7.61920e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 317.15 | |||
| Temperature range, max. | 606.60 | |||
| Pvap | 1.36 | kPa | 317.15 | Calculated Property |
| Pvap | 6.54 | kPa | 349.31 | Calculated Property |
| Pvap | 22.75 | kPa | 381.47 | Calculated Property |
| Pvap | 62.52 | kPa | 413.63 | Calculated Property |
| Pvap | 144.25 | kPa | 445.79 | Calculated Property |
| Pvap | 291.82 | kPa | 477.96 | Calculated Property |
| Pvap | 534.37 | kPa | 510.12 | Calculated Property |
| Pvap | 907.04 | kPa | 542.28 | Calculated Property |
| Pvap | 1453.22 | kPa | 574.44 | Calculated Property |
| Pvap | 2228.62 | kPa | 606.60 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 3-ethyl-5-methyl-.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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