Chemical Properties of Limonene oxide, trans- (CAS 4959-35-7)

InChI

InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3

InChI Key

CCEFMUBVSUDRLG-UHFFFAOYSA-N

Formula

C10H16O

SMILES

C=C(C)C1CCC2(C)OC2C1

Molecular Weight¹

152.23

CAS

4959-35-7

Other Names

• (E)-Limonene oxide
• 4-Isopropenyl-1-methyl-7-oxabicyclo[4.1.0]heptane-, (1«alpha»,4«beta»,6«alpha»)-
• trans-Limonene oxide
• trans-Limonene-1,2-epoxide-
• trans-Limonene epoxide
• trans-1,2-Limonene epoxide
• 7-Oxabicyclo(4.1.0)heptane, 1-methyl-4-(1-methylethenyl)-, (1R,4S,6S)-
• trans-1,2-Epoxy-p-menth-8-ene
• trans-limonene-1,2-oxide
• trans-Limonen-1,2-epoxide
• trans-Limonen oxide
• trans-1,2-limonene oxide
• trans-Limonene oxyde

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	15.99	kJ/mol	Joback Calculated Property
IE	8.93	eV	Relay (1.0) Calculated Property
logPoct/wat	2.520		Crippen Calculated Property
McVol	131.610	ml/mol	McGowan Calculated Property
Inp	[1106.00; 1151.00]
Inp	1125.00		NIST
Inp	1146.00		NIST
Inp	1139.00		NIST
Inp	1137.00		NIST
Inp	Outlier 1106.00		NIST
Inp	1129.00		NIST
Inp	Outlier 1109.00		NIST
Inp	1141.00		NIST
Inp	1134.00		NIST
Inp	1121.00		NIST
Inp	1121.00		NIST
Inp	1125.00		NIST
Inp	1127.00		NIST
Inp	1127.00		NIST
Inp	1139.00		NIST
Inp	1121.00		NIST
Inp	1147.00		NIST
Inp	1140.00		NIST
Inp	1138.00		NIST
Inp	1127.00		NIST
Inp	1139.00		NIST
Inp	1120.00		NIST
Inp	1120.00		NIST
Inp	1134.00		NIST
Inp	1120.00		NIST
Inp	1143.00		NIST
Inp	1143.00		NIST
Inp	1127.00		NIST
Inp	1127.00		NIST
Inp	1122.00		NIST
Inp	1125.00		NIST
Inp	1125.00		NIST
Inp	1139.00		NIST
Inp	1149.00		NIST
Inp	1138.00		NIST
Inp	Outlier 1151.00		NIST
Inp	1127.00		NIST
Inp	1112.00		NIST
Inp	1138.00		NIST
Inp	1121.00		NIST
Inp	1139.00		NIST
Inp	1121.00		NIST
Inp	1125.00		NIST
Inp	1122.00		NIST
Inp	1125.00		NIST
Inp	1142.00		NIST
Inp	1138.00		NIST
Inp	1139.00		NIST
Inp	1124.00		NIST
Inp	1126.00		NIST
Inp	1125.00		NIST
Inp	1142.00		NIST
Inp	1136.00		NIST
Inp	1133.00		NIST
Inp	1125.00		NIST
Inp	1125.00		NIST
Inp	1137.00		NIST
Inp	1125.00		NIST
Inp	1125.00		NIST
Inp	1123.00		NIST
Inp	1112.00		NIST
Inp	1139.00		NIST
Inp	1147.00		NIST
Inp	1138.00		NIST
Inp	1137.00		NIST
Inp	1123.00		NIST
Inp	1125.00		NIST
Inp	1129.00		NIST
Inp	Outlier 1151.00		NIST
Inp	1139.00		NIST
Inp	1142.00		NIST
Inp	1125.00		NIST
Ip	[1420.00; 1482.00]
Ip	1459.00		NIST
Ip	1462.00		NIST
Ip	1439.00		NIST
Ip	1439.00		NIST
Ip	Outlier 1420.00		NIST
Ip	Outlier 1423.00		NIST
Ip	1480.00		NIST
Ip	1439.00		NIST
Ip	Outlier 1423.00		NIST
Ip	1466.00		NIST
Ip	1451.00		NIST
Ip	1441.00		NIST
Ip	1451.00		NIST
Ip	Outlier 1423.00		NIST
Ip	1453.00		NIST
Ip	1451.00		NIST
Ip	1467.00		NIST
Ip	1458.00		NIST
Ip	1470.00		NIST
Ip	1462.00		NIST
Ip	1463.00		NIST
Ip	1465.00		NIST
Ip	1481.00		NIST
Ip	1465.00		NIST
Ip	1472.00		NIST
Ip	1482.00		NIST
Ip	1437.00		NIST
Ip	1458.00		NIST
Ip	1472.00		NIST
Ip	1442.00		NIST
Ip	1468.00		NIST
Ip	1468.00		NIST
Ip	1468.00		NIST
Ip	1468.00		NIST
Ip	1468.00		NIST
Ip	1461.00		NIST
Ip	1468.00		NIST
Ip	1468.00		NIST
Ip	1468.00		NIST
Ip	1467.00		NIST
Tfus	228.88	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[171.88; 501.22]	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			-1.41220e+02
Coefficient B			1.48834e+00
Coefficient C			-1.40270e-03
Coefficient D			5.56800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	171.88	J/mol×K	273.00	Calculated Property
Cp,gas	234.42	J/mol×K	353.78	Calculated Property
Cp,gas	286.35	J/mol×K	434.56	Calculated Property
Cp,gas	329.46	J/mol×K	515.33	Calculated Property
Cp,gas	365.49	J/mol×K	596.11	Calculated Property
Cp,gas	396.22	J/mol×K	676.89	Calculated Property
Cp,gas	423.39	J/mol×K	757.67	Calculated Property
Cp,gas	448.78	J/mol×K	838.44	Calculated Property
Cp,gas	474.13	J/mol×K	919.22	Calculated Property
Cp,gas	501.22	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Limonene oxide, trans-.

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
• Joback Method
• McGowan Method
• NIST Webbook

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