Chemical Properties of p-Mentha-1,5,8-triene (CAS 21195-59-5)

InChI

InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-6,10H,1,7H2,2-3H3

InChI Key

NJLNIOKPXKKALD-UHFFFAOYSA-N

Formula

C10H14

SMILES

C=C(C)C1C=CC(C)=CC1

Molecular Weight¹

134.22

CAS

21195-59-5

Other Names

• 1,5,8-p-Menthatriene
• 5-Isopropenyl-2-methyl-cyclohexa-1,3-diene
• 1,5,8-Menthatriene
• p-Mentha-l,5,8-triene
• p-Mentha-1,3,8-triene
• p-1,3,8-Menthatriene
• 1,3,8-Menthatriene
• 1,3,8-para-Menthatriene
• 1,5,8-p-Mentatriene
• p-Menta-1,3,8-triene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	12.96	kJ/mol	Joback Calculated Property
ΔvapH°	49.57	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.085		Crippen Calculated Property
McVol	128.000	ml/mol	McGowan Calculated Property
Inp	[1074.00; 1138.50]
Inp	1127.00		NIST
Inp	1119.00		NIST
Inp	1108.00		NIST
Inp	1113.00		NIST
Inp	1128.00		NIST
Inp	1135.00		NIST
Inp	1097.00		NIST
Inp	1135.00		NIST
Inp	1113.00		NIST
Inp	1112.00		NIST
Inp	1111.00		NIST
Inp	1085.00		NIST
Inp	1104.00		NIST
Inp	1110.00		NIST
Inp	1110.00		NIST
Inp	1113.00		NIST
Inp	1111.00		NIST
Inp	1110.00		NIST
Inp	1113.00		NIST
Inp	1112.00		NIST
Inp	1105.00		NIST
Inp	1123.00		NIST
Inp	1111.00		NIST
Inp	1108.00		NIST
Inp	1111.00		NIST
Inp	1108.00		NIST
Inp	1114.00		NIST
Inp	Outlier 1138.50		NIST
Inp	1125.00		NIST
Inp	1110.00		NIST
Inp	1112.00		NIST
Inp	1110.00		NIST
Inp	1110.00		NIST
Inp	1109.00		NIST
Inp	1119.00		NIST
Inp	1112.00		NIST
Inp	1130.00		NIST
Inp	1109.00		NIST
Inp	1112.00		NIST
Inp	1113.00		NIST
Inp	1112.00		NIST
Inp	1115.00		NIST
Inp	1112.00		NIST
Inp	1111.00		NIST
Inp	Outlier 1078.00		NIST
Inp	1111.00		NIST
Inp	1111.00		NIST
Inp	1112.00		NIST
Inp	1111.00		NIST
Inp	1117.00		NIST
Inp	1112.00		NIST
Inp	1112.00		NIST
Inp	1112.00		NIST
Inp	1112.00		NIST
Inp	Outlier 1077.00		NIST
Inp	Outlier 1084.00		NIST
Inp	1110.00		NIST
Inp	1109.00		NIST
Inp	1102.00		NIST
Inp	1104.00		NIST
Inp	1112.00		NIST
Inp	1096.00		NIST
Inp	1118.00		NIST
Inp	1098.00		NIST
Inp	1107.00		NIST
Inp	1089.00		NIST
Inp	1110.00		NIST
Inp	1113.00		NIST
Inp	1113.00		NIST
Inp	1111.00		NIST
Inp	1107.00		NIST
Inp	Outlier 1074.00		NIST
Inp	1127.00		NIST
Inp	1111.00		NIST
Inp	1110.00		NIST
Inp	Outlier 1074.00		NIST
Inp	1115.00		NIST
Inp	1111.00		NIST
Inp	1110.00		NIST
Inp	1130.00		NIST
Inp	1115.00		NIST
Inp	1111.00		NIST
Inp	1112.00		NIST
Inp	1096.00		NIST
Inp	1113.00		NIST
Inp	1105.00		NIST
Inp	1108.00		NIST
Inp	Outlier 1074.00		NIST
Inp	Outlier 1138.50		NIST
Inp	1128.00		NIST
Ip	[1210.00; 1453.00]
Ip	Outlier 1224.00		NIST
Ip	Outlier 1210.00		NIST
Ip	Outlier 1216.00		NIST
Ip	1429.00		NIST
Ip	1429.00		NIST
Ip	1429.00		NIST
Ip	1391.00		NIST
Ip	1453.00		NIST
Ip	1375.00		NIST
Ip	1383.00		NIST
Ip	1387.00		NIST
Ip	1391.00		NIST
Ip	1392.00		NIST
Ip	1441.00		NIST
Ip	1408.00		NIST
Ip	1408.00		NIST
Ip	1429.00		NIST
Ip	1408.00		NIST
Ip	1409.00		NIST
Ip	1409.00		NIST
Ip	1442.00		NIST
Ip	1429.00		NIST
Ip	1453.00		NIST
Ip	1383.00		NIST
Ip	1392.00		NIST
Ip	1408.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[159.45; 425.89]	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			-4.46300e+01
Coefficient B			8.84340e-01
Coefficient C			-5.33920e-04
Coefficient D			1.20100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	159.45	J/mol×K	273.00	Calculated Property
Cp,gas	206.72	J/mol×K	353.78	Calculated Property
Cp,gas	248.70	J/mol×K	434.56	Calculated Property
Cp,gas	285.74	J/mol×K	515.33	Calculated Property
Cp,gas	318.25	J/mol×K	596.11	Calculated Property
Cp,gas	346.59	J/mol×K	676.89	Calculated Property
Cp,gas	371.14	J/mol×K	757.67	Calculated Property
Cp,gas	392.29	J/mol×K	838.44	Calculated Property
Cp,gas	410.41	J/mol×K	919.22	Calculated Property
Cp,gas	425.89	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to p-Mentha-1,5,8-triene.

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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