Chemical Properties of «alpha»-Pinene (CAS 2437-95-8)

«alpha»-Pinene

InChI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
InChI Key
GRWFGVWFFZKLTI-UHFFFAOYSA-N
Formula
C10H16
SMILES
CC1=CCC2CC1C2(C)C
Molecular Weight1
136.23
CAS
2437-95-8
Other Names
  • (.+-.)-.alpha.-pinene
  • (.+-.)-2-pinene
  • (.+/-.)-«alpha»-Pinene
  • .alpha.-pinene
  • 2,6,6-Trimethylbicyclo(3.1.1)-2-hept-2-ene
  • 2,6,6-Trimethylbicyclo[3.1.1]-2-heptene
  • 2,6,6-trimethylbicyclo-[3,1,1]-2-heptene («alpha»-pinene)
  • 2,6,6-trimethylbicyclo[3,1,1]-heptene («alpha»-pinene)
  • 2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
  • 2-pinene
  • 4,6,6-Trimethylbicyklo(3,1,1)hept-3-en
  • Acintene A
  • Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (.+/-.)-
  • NSC 7727
  • PC 500
  • Pinene
  • Pinene, «alpha»
  • Sylvapine A
  • UN 2368
  • alpha-Pinene
  • bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-
  • pin-2(3)-ene
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Physical Properties

Property Value Unit Source
ω 0.3228 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ΔfusH° 11.43 kJ/mol Joback Calculated Property
ΔvapH° 46.46 kJ/mol Relay (1.0) Calculated Property
IE 8.28 eV Relay (1.0) Calculated Property
logPoct/wat 2.999 Crippen Calculated Property
McVol 125.740 ml/mol McGowan Calculated Property
Pc 2887.76 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tboil [428.64; 429.24] K Show Hide
Tboil 429.24 K Isothermal and isobaric (vapour + liquid) equilibria of (alpha-pinene + n-butanol + n-octane)
Tboil 428.64 K Measurement and correlation of vapor-liquid equilibrium data for binary systems composed of camphene, (+)-3-carene, (-)-beta-caryophyllene, p-cymene, and alpha-pinene at 101.33 kPa
Tboil 428.65 K Measurement and correlation of vapor-liquid equilibrium data for binary systems composed of camphene, (+)-3-carene, (-)-beta-caryophyllene, p-cymene, and alpha-pinene at 101.33 kPa
Tc 630.00 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tfus 211.65 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc 0.484 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
η [0.0006350; 0.0016760] Pa×s [283.15; 353.15] Show Hide
η 0.0016760 Pa×s 283.15 Density, Viscosity, and Refractive Index in the Range (283.15 to 353.15) K and Vapor Pressure of r-Pinene, d-Limonene, (()-Linalool, and Citral Over the Pressure Range 1.0 kPa Atmospheric Pressure
η 0.0014090 Pa×s 293.15 Density, Viscosity, and Refractive Index in the Range (283.15 to 353.15) K and Vapor Pressure of r-Pinene, d-Limonene, (()-Linalool, and Citral Over the Pressure Range 1.0 kPa Atmospheric Pressure
η 0.0013030 Pa×s 298.15 Density, Viscosity, and Refractive Index in the Range (283.15 to 353.15) K and Vapor Pressure of r-Pinene, d-Limonene, (()-Linalool, and Citral Over the Pressure Range 1.0 kPa Atmospheric Pressure
η 0.0012030 Pa×s 303.15 Density, Viscosity, and Refractive Index in the Range (283.15 to 353.15) K and Vapor Pressure of r-Pinene, d-Limonene, (()-Linalool, and Citral Over the Pressure Range 1.0 kPa Atmospheric Pressure
η 0.0010390 Pa×s 313.15 Density, Viscosity, and Refractive Index in the Range (283.15 to 353.15) K and Vapor Pressure of r-Pinene, d-Limonene, (()-Linalool, and Citral Over the Pressure Range 1.0 kPa Atmospheric Pressure
η 0.0009080 Pa×s 323.15 Density, Viscosity, and Refractive Index in the Range (283.15 to 353.15) K and Vapor Pressure of r-Pinene, d-Limonene, (()-Linalool, and Citral Over the Pressure Range 1.0 kPa Atmospheric Pressure
η 0.0008040 Pa×s 333.15 Density, Viscosity, and Refractive Index in the Range (283.15 to 353.15) K and Vapor Pressure of r-Pinene, d-Limonene, (()-Linalool, and Citral Over the Pressure Range 1.0 kPa Atmospheric Pressure
η 0.0007100 Pa×s 343.15 Density, Viscosity, and Refractive Index in the Range (283.15 to 353.15) K and Vapor Pressure of r-Pinene, d-Limonene, (()-Linalool, and Citral Over the Pressure Range 1.0 kPa Atmospheric Pressure
η 0.0006350 Pa×s 353.15 Density, Viscosity, and Refractive Index in the Range (283.15 to 353.15) K and Vapor Pressure of r-Pinene, d-Limonene, (()-Linalool, and Citral Over the Pressure Range 1.0 kPa Atmospheric Pressure
Pvap [100.70; 101.33] kPa [428.64; 428.65] Show Hide
Pvap 101.33 kPa 428.64 Measurement and correlation of vapor-liquid equilibrium data for binary systems composed of camphene, (+)-3-carene, (-)-beta-caryophyllene, p-cymene, and alpha-pinene at 101.33 kPa
Pvap 100.70 kPa 428.65 Measurement and correlation of (vapor + liquid) equilibrium data for {alpha-pinene + p-cymene + (S)-(-)-limonene} ternary system at atmospheric pressure
Pvap 101.33 kPa 428.65 Measurement and correlation of vapor-liquid equilibrium data for binary systems composed of camphene, (+)-3-carene, (-)-beta-caryophyllene, p-cymene, and alpha-pinene at 101.33 kPa
n0 [1.45420; 1.46570]   [293.15; 318.15] Show Hide
n0 1.46570 293.15 Vapor-Liquid Equilibria for the Binary Mixture alpha-Pinene + Octane
n0 1.46260 298.15 Excess Molar Enthalpies of p-Cymene + r-Pinene + a-Pinene at (298.15, 308.15, and 318.15) K and at Atmospheric Pressure
n0 1.45810 308.15 Excess Molar Enthalpies of p-Cymene + r-Pinene + a-Pinene at (298.15, 308.15, and 318.15) K and at Atmospheric Pressure
n0 1.45420 318.15 Excess Molar Enthalpies of p-Cymene + r-Pinene + a-Pinene at (298.15, 308.15, and 318.15) K and at Atmospheric Pressure
ρl 853.88 kg/m3 298.15 Temperature Dependence on Mutual Solubility Data of the Binary (Methanol + r-Pinene or -Pinene) Systems and Ternary Liquid-Liquid Equilibria for the (Methanol + Ethanol + r-Pinene or -Pinene) Systems

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [160.26; 476.14] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.33780e+02
Coefficient B1.39596e+00
Coefficient C-1.31164e-03
Coefficient D5.25600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 160.26 J/mol×K 273.00 Calculated Property
Cp,gas 219.19 J/mol×K 353.78 Calculated Property
Cp,gas 268.29 J/mol×K 434.56 Calculated Property
Cp,gas 309.21 J/mol×K 515.33 Calculated Property
Cp,gas 343.61 J/mol×K 596.11 Calculated Property
Cp,gas 373.17 J/mol×K 676.89 Calculated Property
Cp,gas 399.54 J/mol×K 757.67 Calculated Property
Cp,gas 424.38 J/mol×K 838.44 Calculated Property
Cp,gas 449.36 J/mol×K 919.22 Calculated Property
Cp,gas 476.14 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [308.97; 460.34] The Yaws Handbook of Vapor Pressure Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.41883e+01
Coefficient B-3.71789e+03
Coefficient C-4.15050e+01
Temperature range, min.308.97
Temperature range, max.460.34
Pvap 1.33 kPa 308.97 Calculated Property
Pvap 3.04 kPa 325.79 Calculated Property
Pvap 6.30 kPa 342.61 Calculated Property
Pvap 12.11 kPa 359.43 Calculated Property
Pvap 21.79 kPa 376.25 Calculated Property
Pvap 37.07 kPa 393.06 Calculated Property
Pvap 60.08 kPa 409.88 Calculated Property
Pvap 93.36 kPa 426.70 Calculated Property
Pvap 139.80 kPa 443.52 Calculated Property
Pvap 202.67 kPa 460.34 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.03; 0.01] N/m [209.15; 429.15] Jasper (1972), surface tension of pure liquid compounds Compiled value Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is γ in N/m, T in K
Coefficient A5.41354e-02
Coefficient B-9.44000e-05
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.209.15
Temperature range, max.429.15
γ 0.03 N/m 209.15 Calculated Property
γ 0.03 N/m 233.59 Calculated Property
γ 0.03 N/m 258.04 Calculated Property
γ 0.03 N/m 282.48 Calculated Property
γ 0.03 N/m 306.93 Calculated Property
γ 0.02 N/m 331.37 Calculated Property
γ 0.02 N/m 355.82 Calculated Property
γ 0.02 N/m 380.26 Calculated Property
γ 0.02 N/m 404.71 Calculated Property
γ 0.01 N/m 429.15 Calculated Property

Similar Compounds

(1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene. (1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene. cis-«alpha»-Bergamotene. trans-«alpha»-Bergamotene. trans-«alpha»-bergaptene. (Z)-trans-«alpha»-bergamotene. «alpha»-cis-Bergamotene. Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-. «alpha»-trans-«beta»-Bergamotene. Tricyclo[5.4.0.0^2^,^8]undec-9-ene, 2,6,6,9-tetramethyl-. Longipinene. Tricyclo[5.4.0.0(2,8)]undec-9-ene, 2,6,6,9-tetramethyl-, (1R,2S,7R,8R)-. «alpha»-Copaene. trans-«alpha»-Copaene. Ylangene.

Find more compounds similar to «alpha»-Pinene.

Mixtures

Sources

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