Chemical Properties of Limonene (CAS 7705-14-8)

InChI

InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3

InChI Key

XMGQYMWWDOXHJM-UHFFFAOYSA-N

Formula

C10H16

SMILES

C=C(C)C1CC=C(C)CC1

Molecular Weight¹

136.23

CAS

7705-14-8

Other Names

• ( R/ S)-limonene
• (+)-(4R)-limonene
• (+)-limonene
• (-)-.beta.-pinene
• (.+/-.)-Dipentene
• (.+/-.)-Limonene
• (.+/-.)-«alpha»-Limonene
• (1S)-(-)-.beta.-pinene
• (1S,5S)-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane
• (R)-(+)-Limonene
• (R)-Limonene
• (±)-limonene
• 1,8(9)-p-Menthadiene
• 1,8-p-Menthadiene
• 1-Methyl-4-(1-methylethenyl)cyclohexene
• 1-Methyl-4-isopropenyl-1-cyclohexene
• 1-Methyl-4-isopropenylcyclohexene
• 1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene
• 1-methyl-4-isopropenylcyclohex-1-ene
• 1-methyl-4-isopropenylcyclohex-1-ene (limonene)
• 4-Isopropenyl-1-methyl-1-cyclohexene
• 4-Isopropenyl-1-methylcyclohexene
• Achilles dipentene
• Acintene DP
• Acintene DP dipentene
• Cajeputen
• Cajeputene
• Cinen
• Cinene
• Cyclohexene, 1-methyl-4-(1-methylethenyl)-
• Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (.+/-.)-
• Cyclohexene, 1-methyl-4-(1-methylethynyl)
• D-Limonene
• DL-Limonene
• Di-p-mentha-1,8-diene
• Dipanol
• Dipenten
• Dipentene
• Dipentene limonene
• Eulimen
• Flavor orange
• Goldflush II
• Inactive limonene
• Kautschin
• Limonen
• Limonene [4R-(+), 4S-(-)]
• Limonene+
• NSC 21446
• Nesol
• Orange flavor
• PC 560
• UN 2052
• Unitene
• dipentene (p-Mentha-1,8-diene)
• p-Mentha-1,8(9)-diene
• p-Mentha-1,8-diene
• p-Mentha-1,8-diene, dl-
• «alpha»-Limonene
• «delta»-1,8-Terpodiene

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-6171.00 ± 2.10	kJ/mol	NIST
ΔfH°gas	39.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.73	kJ/mol	Joback Calculated Property
ΔvapH°	49.97	kJ/mol	Relay (1.0) Calculated Property
IE	8.54	eV	Relay (1.0) Calculated Property
log10WS	-4.06		Relay (1.0) Calculated Property
logPoct/wat	3.309		Crippen Calculated Property
McVol	132.300	ml/mol	McGowan Calculated Property
Tboil	[449.15; 451.20]	K
Tboil	451.20	K	NIST
Tboil	449.15 ± 1.00	K	NIST
Tfus	199.95	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[269.91; 362.47]	J/mol×K	[448.65; 657.45]
Cp,gas	269.91	J/mol×K	448.65	Joback Calculated Property
Cp,gas	287.53	J/mol×K	483.45	Joback Calculated Property
Cp,gas	304.24	J/mol×K	518.25	Joback Calculated Property
Cp,gas	320.05	J/mol×K	553.05	Joback Calculated Property
Cp,gas	335.01	J/mol×K	587.85	Joback Calculated Property
Cp,gas	349.14	J/mol×K	622.65	Joback Calculated Property
Cp,gas	362.47	J/mol×K	657.45	Joback Calculated Property
ρl	866.84	kg/m3	298.15	Ternary and quaternary (liquid + liquid) equilibria for (water + ethanol + a-pinene, +b-pinene, or +limonene) and (water + ethanol + a-pinene + limonene) at the temperature 298.15 K

Similar Compounds

Find more compounds similar to Limonene.

Mixtures

• Limonene + Ethanol + Water

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
• Ternary and quaternary (liquid + liquid) equilibria for (water + ethanol + a-pinene, +b-pinene, or +limonene) and (water + ethanol + a-pinene + limonene) at the temperature 298.15 K
• Joback Method
• McGowan Method
• NIST Webbook

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