- InChI
- InChI=1S/C10H20O2/c1-3-5-6-8-9(7-4-2)10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
- InChI Key
- RXGPYPPCEXISOV-UHFFFAOYSA-N
- Formula
- C10H20O2
- SMILES
- CCCCCC(CCC)C(=O)O
- Molecular Weight1
- 172.27
- CAS
- 31080-39-4
- 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).
- 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 | 0.7503 | Relay (1.0) Calculated Property | |
| ΔfG° | -313.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -603.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.068 | Crippen Calculated Property | |
| McVol | 159.200 | ml/mol | McGowan Calculated Property |
| Pc | 2309.17 | kPa | Joback Calculated Property |
| Tboil | 515.65 | K | Relay (1.0) Calculated Property |
| Tc | 711.28 | K | Relay (1.0) Calculated Property |
| Tfus | 243.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.585 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [230.93; 546.56] | 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 | -3.28400e+00 | |||
| Coefficient B | 1.01054e+00 | |||
| Coefficient C | -5.96000e-04 | |||
| Coefficient D | 1.35300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 230.93 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 285.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 334.41 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 377.72 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 415.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 449.63 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 479.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 504.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 527.11 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 546.56 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021104; 0.0002758] | Pa×s | [348.06; 530.58] |
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 | -1.20759e+01 | |||
| Coefficient B | 2.05880e+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. | 348.06 | |||
| Temperature range, max. | 530.58 | |||
| η | 0.0021104 | Pa×s | 348.06 | Calculated Property |
| η | 0.0015238 | Pa×s | 368.34 | Calculated Property |
| η | 0.0011383 | Pa×s | 388.62 | Calculated Property |
| η | 0.0008753 | Pa×s | 408.90 | Calculated Property |
| η | 0.0006899 | Pa×s | 429.18 | Calculated Property |
| η | 0.0005557 | Pa×s | 449.46 | Calculated Property |
| η | 0.0004560 | Pa×s | 469.74 | Calculated Property |
| η | 0.0003803 | Pa×s | 490.02 | Calculated Property |
| η | 0.0003218 | Pa×s | 510.30 | Calculated Property |
| η | 0.0002758 | Pa×s | 530.58 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [409.32; 566.40] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.55358e+01 | |||
| Coefficient B | -4.87449e+03 | |||
| Coefficient C | -8.96440e+01 | |||
| Temperature range, min. | 409.32 | |||
| Temperature range, max. | 566.40 | |||
| Pvap | 1.33 | kPa | 409.32 | Calculated Property |
| Pvap | 2.94 | kPa | 426.77 | Calculated Property |
| Pvap | 5.98 | kPa | 444.23 | Calculated Property |
| Pvap | 11.40 | kPa | 461.68 | Calculated Property |
| Pvap | 20.51 | kPa | 479.13 | Calculated Property |
| Pvap | 35.07 | kPa | 496.59 | Calculated Property |
| Pvap | 57.40 | kPa | 514.04 | Calculated Property |
| Pvap | 90.36 | kPa | 531.49 | Calculated Property |
| Pvap | 137.41 | kPa | 548.95 | Calculated Property |
| Pvap | 202.66 | kPa | 566.40 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-propylheptanoic acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- The Yaws Handbook of Vapor Pressure
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