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

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
• (-)-.beta.-pinene
• (-)-2-pinene
• (.+-.)-.alpha.-pinene
• (.+-.)-2-pinene
• (.+/-.)-«alpha»-Pinene
• (1S)-(-)-.alpha.-pinene
• (1S)-(-)-.beta.-pinene
• (1S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene
• (1S,5S)-(-)-.alpha.-pinene
• (1S,5S)-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane
• (S)-(-)-.alpha.-pinene
• (S)-2-pinene
• .alpha.-pinene
• .alpha.-pinene, (1S)-(-)-
• 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
• 2-pinene, (1S,5S)-(-)-
• 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-
• bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-
• l-.alpha.-pinene
• pin-2(3)-ene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Contents

1. Physical Properties
2. Temperature Dependent Properties
3. Datasets
4. Correlations
5. Similar Compounds
6. Mixtures
7. Sources

Physical Properties

Property	Value	Unit	Source
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
Tboil	[428.64; 429.24]	K
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
Tfus	200.77	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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
Cp,gas	[274.36; 365.49]	J/mol×K	[445.66; 654.83]
Cp,gas	274.36	J/mol×K	445.66	Joback Calculated Property
Cp,gas	292.47	J/mol×K	480.52	Joback Calculated Property
Cp,gas	309.23	J/mol×K	515.38	Joback Calculated Property
Cp,gas	324.78	J/mol×K	550.25	Joback Calculated Property
Cp,gas	339.25	J/mol×K	585.11	Joback Calculated Property
Cp,gas	352.77	J/mol×K	619.97	Joback Calculated Property
Cp,gas	365.49	J/mol×K	654.83	Joback Calculated Property
η	[0.0006350; 0.0016760]	Pa×s	[283.15; 353.15]
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]
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]
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

Datasets

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
283.15	20000.00	880.0
283.15	25000.00	883.2
283.15	30000.00	886.3
283.15	35000.00	889.4
283.15	40000.00	892.5
298.15	20000.00	868.8
298.15	25000.00	872.1
298.15	30000.00	875.3
298.15	35000.00	878.6
298.15	40000.00	881.9
313.15	20000.00	858.0
313.15	25000.00	861.3
313.15	30000.00	864.7
313.15	35000.00	867.9
313.15	40000.00	871.3
328.15	20000.00	846.7
328.15	25000.00	850.4
328.15	30000.00	854.0
328.15	35000.00	857.5
328.15	40000.00	861.1
343.15	20000.00	835.9
343.15	25000.00	839.7
343.15	30000.00	843.8
343.15	35000.00	847.7
343.15	40000.00	851.4
358.15	20000.00	825.0
358.15	25000.00	829.2
358.15	30000.00	833.3
358.15	35000.00	837.4
358.15	40000.00	841.5
Reference

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
283.15	20000.00	880.0
283.15	25000.00	883.2
283.15	30000.00	886.3
283.15	35000.00	889.4
283.15	40000.00	892.5
298.15	20000.00	868.8
298.15	25000.00	872.1
298.15	30000.00	875.3
298.15	35000.00	878.6
298.15	40000.00	881.9
313.15	20000.00	858.0
313.15	25000.00	861.3
313.15	30000.00	864.7
313.15	35000.00	867.9
313.15	40000.00	871.3
328.15	20000.00	846.7
328.15	25000.00	850.4
328.15	30000.00	854.0
328.15	35000.00	857.5
328.15	40000.00	861.1
343.15	20000.00	835.9
343.15	25000.00	839.7
343.15	30000.00	843.8
343.15	35000.00	847.7
343.15	40000.00	851.4
358.15	20000.00	825.0
358.15	25000.00	829.2
358.15	30000.00	833.3
358.15	35000.00	837.4
358.15	40000.00	841.5
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[308.97; 460.34]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41883e+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

Similar Compounds

Find more compounds similar to «alpha»-Pinene.

Mixtures

• Camphene + «alpha»-Pinene
• (+)-3-Carene + «alpha»-Pinene
• Caryophyllene + «alpha»-Pinene
• «alpha»-Pinene + p-Cymene
• D-Limonene + «alpha»-Pinene + p-Cymene
• Octane + 1-Butanol + «alpha»-Pinene
• Acetone + Water + «alpha»-Pinene
• 2-Propanol + Water + «alpha»-Pinene
• Methyl Alcohol + «alpha»-Pinene
• Ethanol + Methyl Alcohol + «alpha»-Pinene
• Ethanol + Water + «alpha»-Pinene
• Octane + «alpha»-Pinene
• 1-Pentanol + Water + «alpha»-Pinene
• Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- + «alpha»-Pinene

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Isothermal and isobaric (vapour + liquid) equilibria of (alpha-pinene + n-butanol + n-octane)
• (Ternary liquid + liquid) equilibria for (water + acetone + alpha-pinene, or beta-pinene, or limonene) mixtures
• Ternary (liquid + liquid) equilibria for (water + 2-propanol + a-pinene, or a-pinene) mixtures at four temperatures
• P,[rho], T and heat capacity measurements of ([alpha]-pinene + [beta]-pinene) mixtures over the temperature range 283.15 K to 358.15 K and pressures up to 40 MPa: Experiments and modelling
• Measurement and correlation of (vapor + liquid) equilibrium data for {alpha-pinene + p-cymene + (S)-(-)-limonene} ternary system at atmospheric pressure
• 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
• Vapor-Liquid Equilibria for the Binary Mixture alpha-Pinene + Octane
• Excess Molar Enthalpies of p-Cymene + r-Pinene + a-Pinene at (298.15, 308.15, and 318.15) K and at Atmospheric Pressure
• P, rho, and T Measurements of the Limonene + alpha-Pinene Mixtures
• Liquid-Liquid Equilibria of Water + Pentan-1-ol + 2,6,6-Trimethylbicyclo[3.1.1]hep-2-ene or 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane at (293.15, 303.15, 313.15, and 323.15) K
• Vapor Liquid Equilibria Measurements of Bitter Orange Aroma Compounds Highly Diluted in Boiling Hydro-Alcoholic Solutions at 101.3 kPa
• 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
• 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
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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