- InChI
- InChI=1S/C8H18O/c1-3-5-8(7-9)6-4-2/h8-9H,3-7H2,1-2H3
- InChI Key
- LASHFHLFDRTERB-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CCCC(CO)CCC
- Molecular Weight1
- 130.23
- CAS
- 58175-57-8
- Other Names
-
- 1-Pentanol, 2-propyl-
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.6359 | Relay (1.0) Calculated Property | |
| ΔfG° | -122.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -351.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.195 | Crippen Calculated Property | |
| McVol | 129.450 | ml/mol | McGowan Calculated Property |
| Pc | 2811.36 | kPa | Joback Calculated Property |
| Tboil | [452.15; 453.15] | K |
|
| Tboil | 453.15 ± 3.00 | K | NIST |
| Tboil | 452.15 ± 3.00 | K | NIST |
| Tc | 639.68 | K | Relay (1.0) Calculated Property |
| Tfus | 207.36 | K | Relay (1.0) Calculated Property |
| Vc | 0.454 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 354.20 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.38; 451.27] | 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 | -7.75000e-01 | |||
| Coefficient B | 8.03740e-01 | |||
| Coefficient C | -4.45000e-04 | |||
| Coefficient D | 9.33000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 187.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 232.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 272.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 308.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 339.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 368.31 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 393.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 415.28 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 434.50 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 451.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1178389; 0.0002454] | Pa×s | [225.74; 446.16] |
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 | -1.46357e+01 | |||
| Coefficient B | 2.82113e+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. | 225.74 | |||
| Temperature range, max. | 446.16 | |||
| η | 0.1178389 | Pa×s | 225.74 | Calculated Property |
| η | 0.0346808 | Pa×s | 250.23 | Calculated Property |
| η | 0.0126940 | Pa×s | 274.72 | Calculated Property |
| η | 0.0054773 | Pa×s | 299.21 | Calculated Property |
| η | 0.0026839 | Pa×s | 323.70 | Calculated Property |
| η | 0.0014539 | Pa×s | 348.19 | Calculated Property |
| η | 0.0008537 | Pa×s | 372.68 | Calculated Property |
| η | 0.0005353 | Pa×s | 397.17 | Calculated Property |
| η | 0.0003543 | Pa×s | 421.66 | Calculated Property |
| η | 0.0002454 | Pa×s | 446.16 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [351.85; 477.48] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.53499e+01 | |||
| Coefficient B | -3.78109e+03 | |||
| Coefficient C | -1.00818e+02 | |||
| Temperature range, min. | 351.85 | |||
| Temperature range, max. | 477.48 | |||
| Pvap | 1.33 | kPa | 351.85 | Calculated Property |
| Pvap | 2.95 | kPa | 365.81 | Calculated Property |
| Pvap | 6.02 | kPa | 379.77 | Calculated Property |
| Pvap | 11.49 | kPa | 393.73 | Calculated Property |
| Pvap | 20.66 | kPa | 407.69 | Calculated Property |
| Pvap | 35.32 | kPa | 421.64 | Calculated Property |
| Pvap | 57.73 | kPa | 435.60 | Calculated Property |
| Pvap | 90.73 | kPa | 449.56 | Calculated Property |
| Pvap | 137.71 | kPa | 463.52 | Calculated Property |
| Pvap | 202.66 | kPa | 477.48 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propyl-1-pentanol.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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