- InChI
- InChI=1S/C10H22/c1-4-7-10(8-5-2)9-6-3/h10H,4-9H2,1-3H3
- InChI Key
- ABYGSZMCWVXFCQ-UHFFFAOYSA-N
- Formula
- C10H22
- SMILES
- CCCC(CCC)CCC
- Molecular Weight1
- 142.28
- CAS
- 3178-29-8
- Other Names
-
- 4-Propylheptane
- ω : Acentric Factor.
- AP : Aniline Point (K).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- Δc,grossH : Heat of Combustion, Gross form (kJ/mol).
- Δc,netH : Heat of Combustion, Net Form (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).
- n0 : Refractive Index.
- 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).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4440 | KDB | |
| AP | 349.150 | K | KDB |
| ΔfG° | 30.88 | kJ/mol | Joback Calculated Property |
| Δc,grossH | 6778.75 | kJ/mol | KDB |
| Δc,netH | 6294.661 | kJ/mol | KDB |
| ΔfH°gas | -240.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.50 | kJ/mol | NIST |
| IE | 9.32 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.003 | Crippen Calculated Property | |
| McVol | 151.760 | ml/mol | McGowan Calculated Property |
| Pc | 2180.00 | kPa | KDB |
| Inp | [906.00; 946.20] |
|
|
| Inp | 946.20 | NIST | |
| Inp | 946.20 | NIST | |
| Inp | 907.70 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 906.00 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 906.00 | NIST | |
| Inp | 945.00 | NIST | |
| Tboil | [430.00; 435.00] | K |
|
| Tboil | 430.70 | K | KDB |
| Tboil | 430.00 ± 4.00 | K | NIST |
| Tboil | 435.00 ± 6.00 | K | NIST |
| Tboil | 435.00 ± 0.60 | K | NIST |
| Tc | 601.00 | K | KDB |
| Tfus | 219.00 | K | KDB |
| Vc | 0.545 | m3/kmol | KDB |
| Zc | 0.2377620 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [38.12; 44.10] | kJ/mol | [380.50; 430.70] |
|
| ΔvapH | 44.10 | kJ/mol | 380.50 | NIST |
| ΔvapH | 38.12 | kJ/mol | 430.70 | KDB |
| n0 | 1.41130 | 298.15 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.31; 535.78] | 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 | -7.88400e+00 | |||
| Coefficient B | 9.59760e-01 | |||
| Coefficient C | -5.23400e-04 | |||
| Coefficient D | 1.07300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 217.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 270.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 319.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 362.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 400.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 435.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 465.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 492.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 515.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 535.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0040123; 0.0002383] | Pa×s | [219.00; 420.70] |
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 | -1.14082e+01 | |||
| Coefficient B | 1.28986e+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. | 219.00 | |||
| Temperature range, max. | 420.70 | |||
| η | 0.0040123 | Pa×s | 219.00 | Calculated Property |
| η | 0.0023224 | Pa×s | 241.41 | Calculated Property |
| η | 0.0014751 | Pa×s | 263.82 | Calculated Property |
| η | 0.0010059 | Pa×s | 286.23 | Calculated Property |
| η | 0.0007252 | Pa×s | 308.64 | Calculated Property |
| η | 0.0005465 | Pa×s | 331.06 | Calculated Property |
| η | 0.0004269 | Pa×s | 353.47 | Calculated Property |
| η | 0.0003434 | Pa×s | 375.88 | Calculated Property |
| η | 0.0002831 | Pa×s | 398.29 | Calculated Property |
| η | 0.0002383 | Pa×s | 420.70 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [317.22; 458.97] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42938e+01 | |||
| Coefficient B | -3.54982e+03 | |||
| Coefficient C | -6.37720e+01 | |||
| Temperature range, min. | 317.22 | |||
| Temperature range, max. | 458.97 | |||
| Pvap | 1.33 | kPa | 317.22 | Calculated Property |
| Pvap | 3.03 | kPa | 332.97 | Calculated Property |
| Pvap | 6.27 | kPa | 348.72 | Calculated Property |
| Pvap | 12.04 | kPa | 364.47 | Calculated Property |
| Pvap | 21.67 | kPa | 380.22 | Calculated Property |
| Pvap | 36.89 | kPa | 395.97 | Calculated Property |
| Pvap | 59.84 | kPa | 411.72 | Calculated Property |
| Pvap | 93.08 | kPa | 427.47 | Calculated Property |
| Pvap | 139.57 | kPa | 443.22 | Calculated Property |
| Pvap | 202.64 | kPa | 458.97 | Calculated Property |
| Pvap | [1.33; 2176.49] | kPa | [317.15; 601.00] |
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 | 1.06242e+02 | |||
| Coefficient B | -9.34666e+03 | |||
| Coefficient C | -1.34186e+01 | |||
| Coefficient D | 7.90603e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 317.15 | |||
| Temperature range, max. | 601.00 | |||
| Pvap | 1.33 | kPa | 317.15 | Calculated Property |
| Pvap | 6.32 | kPa | 348.69 | Calculated Property |
| Pvap | 21.90 | kPa | 380.23 | Calculated Property |
| Pvap | 60.18 | kPa | 411.77 | Calculated Property |
| Pvap | 139.09 | kPa | 443.31 | Calculated Property |
| Pvap | 282.08 | kPa | 474.84 | Calculated Property |
| Pvap | 517.96 | kPa | 506.38 | Calculated Property |
| Pvap | 881.59 | kPa | 537.92 | Calculated Property |
| Pvap | 1416.04 | kPa | 569.46 | Calculated Property |
| Pvap | 2176.49 | kPa | 601.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptane, 4-propyl-.
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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