- InChI
- InChI=1S/C12H24O2/c1-3-5-7-8-10-11(12(13)14)9-6-4-2/h11H,3-10H2,1-2H3,(H,13,14)
- InChI Key
- OARDBPIZDHVTCK-UHFFFAOYSA-N
- Formula
- C12H24O2
- SMILES
- CCCCCCC(CCCC)C(=O)O
- Molecular Weight1
- 200.32
- CAS
- 27610-92-0
- Other Names
-
- 2-Butyloctanoic acid
- 2-Butyloctansaeure
- 5-Undecanecarboxylic acid
- 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 | 0.8197 | Relay (1.0) Calculated Property | |
| ΔfG° | -296.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -646.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.848 | Crippen Calculated Property | |
| McVol | 187.380 | ml/mol | McGowan Calculated Property |
| Pc | 1935.54 | kPa | Joback Calculated Property |
| Tboil | 540.50 | K | Relay (1.0) Calculated Property |
| Tc | 739.91 | K | Relay (1.0) Calculated Property |
| Tfus | 253.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.697 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.35; 649.74] | 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 | -5.10200e+00 | |||
| Coefficient B | 1.20054e+00 | |||
| Coefficient C | -7.04800e-04 | |||
| Coefficient D | 1.59100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 273.35 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 338.46 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 396.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 448.18 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 493.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 533.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 569.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 599.79 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 626.50 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 649.74 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019120; 0.0002455] | Pa×s | [370.60; 560.24] |
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 | -1.23231e+01 | |||
| Coefficient B | 2.24712e+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. | 370.60 | |||
| Temperature range, max. | 560.24 | |||
| η | 0.0019120 | Pa×s | 370.60 | Calculated Property |
| η | 0.0013798 | Pa×s | 391.67 | Calculated Property |
| η | 0.0010295 | Pa×s | 412.74 | Calculated Property |
| η | 0.0007903 | Pa×s | 433.81 | Calculated Property |
| η | 0.0006217 | Pa×s | 454.88 | Calculated Property |
| η | 0.0004996 | Pa×s | 475.95 | Calculated Property |
| η | 0.0004089 | Pa×s | 497.03 | Calculated Property |
| η | 0.0003403 | Pa×s | 518.10 | Calculated Property |
| η | 0.0002872 | Pa×s | 539.17 | Calculated Property |
| η | 0.0002455 | Pa×s | 560.24 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.14; 202.65] | kPa | [335.12; 618.05] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.18405e+01 | |||
| Coefficient B | -3.50624e+03 | |||
| Coefficient C | -8.10260e+01 | |||
| Temperature range, min. | 335.12 | |||
| Temperature range, max. | 618.05 | |||
| Pvap | 0.14 | kPa | 335.12 | Calculated Property |
| Pvap | 0.64 | kPa | 366.56 | Calculated Property |
| Pvap | 2.18 | kPa | 397.99 | Calculated Property |
| Pvap | 5.91 | kPa | 429.43 | Calculated Property |
| Pvap | 13.59 | kPa | 460.87 | Calculated Property |
| Pvap | 27.53 | kPa | 492.30 | Calculated Property |
| Pvap | 50.43 | kPa | 523.74 | Calculated Property |
| Pvap | 85.26 | kPa | 555.18 | Calculated Property |
| Pvap | 135.03 | kPa | 586.61 | Calculated Property |
| Pvap | 202.65 | kPa | 618.05 | Calculated Property |
Similar Compounds
Find more compounds similar to Octanoic acid, 2-butyl-.
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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