Chemical Properties of 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, trans- (CAS 16721-39-4)

InChI

InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3/t9-,10+/m0/s1

InChI Key

HPOHAUWWDDPHRS-VHSXEESVSA-N

Formula

C10H18O

SMILES

CC1=CC(O)C(C(C)C)CC1

Molecular Weight¹

154.25

CAS

16721-39-4

Other Names

• (1R,6R)-6-Isopropyl-3-methylcyclohex-2-enol, rel-
• p-Menth-1-en-3-ol, trans-
• trans-p-Menth-1-en-3-ol
• trans-Piperitol
• 6-Isopropyl-3-methyl-2-cyclohexen-1-ol, (E)-
• E-Piperitol
• trans-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-ol
• 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6R)-rel-
• Piperitol, trans-
• trans-Pipertiol (=trans-p-Menth-1-en-3-ol)
• (E)-Piperitol acetate
• trans-Piperitol (trans-p-menth-1-en-3-ol)
• trans-piperitol (= trans- pmenth-1-en-3-ol)
• trans-6-(isopropyl)-3-methylcyclohex-2-en-1-ol

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	15.96	kJ/mol	Joback Calculated Property
logPoct/wat	2.360		Crippen Calculated Property
McVol	142.470	ml/mol	McGowan Calculated Property
Inp	[1177.00; 1216.00]
Inp	1205.00		NIST
Inp	1201.00		NIST
Inp	1205.00		NIST
Inp	1208.00		NIST
Inp	1197.00		NIST
Inp	1212.00		NIST
Inp	1208.00		NIST
Inp	1194.00		NIST
Inp	1194.00		NIST
Inp	1205.00		NIST
Inp	1205.00		NIST
Inp	1205.00		NIST
Inp	1205.00		NIST
Inp	Outlier 1181.00		NIST
Inp	1186.00		NIST
Inp	1203.00		NIST
Inp	Outlier 1180.00		NIST
Inp	1205.00		NIST
Inp	1206.00		NIST
Inp	1208.00		NIST
Inp	1189.00		NIST
Inp	1208.00		NIST
Inp	1196.00		NIST
Inp	1191.00		NIST
Inp	1186.00		NIST
Inp	1189.00		NIST
Inp	1208.00		NIST
Inp	1208.00		NIST
Inp	1205.00		NIST
Inp	1211.00		NIST
Inp	1209.00		NIST
Inp	1208.00		NIST
Inp	1209.00		NIST
Inp	1208.00		NIST
Inp	1201.00		NIST
Inp	1208.00		NIST
Inp	1207.00		NIST
Inp	Outlier 1180.00		NIST
Inp	1205.00		NIST
Inp	1187.00		NIST
Inp	1209.00		NIST
Inp	1193.00		NIST
Inp	1187.00		NIST
Inp	1183.00		NIST
Inp	1203.00		NIST
Inp	1216.00		NIST
Inp	1202.00		NIST
Inp	1208.00		NIST
Inp	1204.00		NIST
Inp	1204.00		NIST
Inp	1193.00		NIST
Inp	1213.00		NIST
Inp	1185.00		NIST
Inp	1213.00		NIST
Inp	1208.00		NIST
Inp	1191.00		NIST
Inp	1193.00		NIST
Inp	1214.00		NIST
Inp	1209.00		NIST
Inp	1214.00		NIST
Inp	1205.00		NIST
Inp	1205.00		NIST
Inp	1207.00		NIST
Inp	1208.00		NIST
Inp	Outlier 1177.00		NIST
Inp	1187.00		NIST
Inp	1209.00		NIST
Inp	1209.00		NIST
Inp	1192.00		NIST
Inp	1211.00		NIST
Inp	1204.00		NIST
Inp	1207.00		NIST
Inp	1207.00		NIST
Inp	1214.00		NIST
Inp	1192.00		NIST
Inp	1216.00		NIST
Inp	1209.00		NIST
Inp	1210.00		NIST
Inp	1208.00		NIST
Inp	1192.00		NIST
Inp	1183.00		NIST
Inp	Outlier 1177.00		NIST
Inp	1205.00		NIST
Inp	1215.00		NIST
Inp	1206.00		NIST
Inp	1187.00		NIST
Inp	1211.00		NIST
Inp	1208.00		NIST
Inp	1196.00		NIST
Inp	1205.00		NIST
Inp	1195.00		NIST
Inp	1192.00		NIST
Inp	1205.00		NIST
Inp	1187.00		NIST
Inp	1208.00		NIST
Inp	1204.00		NIST
Inp	1202.00		NIST
Inp	1214.00		NIST
Inp	1207.00		NIST
Inp	1195.00		NIST
Inp	1205.00		NIST
Inp	1210.00		NIST
Inp	1209.00		NIST
Inp	1206.00		NIST
Inp	1185.00		NIST
Inp	1185.00		NIST
Inp	1197.00		NIST
Inp	1209.00		NIST
Inp	1207.00		NIST
Inp	1208.00		NIST
Inp	1211.00		NIST
Inp	1208.00		NIST
Inp	1206.00		NIST
Inp	1208.00		NIST
Inp	1211.00		NIST
Inp	1193.00		NIST
Inp	1192.00		NIST
Inp	1208.00		NIST
Inp	1205.00		NIST
Inp	1204.00		NIST
Inp	1208.00		NIST
Inp	1188.00		NIST
Inp	1188.00		NIST
Inp	1202.00		NIST
Inp	1205.00		NIST
Inp	1192.00		NIST
Inp	1195.00		NIST
Inp	1185.00		NIST
Inp	1211.00		NIST
Inp	1193.00		NIST
Inp	1208.00		NIST
Inp	1192.00		NIST
Inp	1205.00		NIST
Inp	1212.00		NIST
I	[1675.00; 1753.00]
I	1713.00		NIST
I	1742.00		NIST
I	1675.00		NIST
I	1679.00		NIST
I	Outlier 1753.00		NIST
I	1741.00		NIST
I	1738.00		NIST
I	1725.00		NIST
I	1725.00		NIST
I	1745.00		NIST
I	1691.00		NIST
I	1730.00		NIST
I	1719.00		NIST
I	1679.00		NIST
I	1749.00		NIST
I	1709.00		NIST
I	1675.00		NIST
I	1743.00		NIST
I	1686.00		NIST
I	1693.00		NIST
I	1689.00		NIST
I	1705.00		NIST
I	1689.00		NIST
I	1689.00		NIST
I	1689.00		NIST
I	1689.00		NIST
I	1689.00		NIST
I	1710.00		NIST
I	1676.00		NIST
I	1689.00		NIST
I	1689.00		NIST
I	1689.00		NIST
I	1690.00		NIST
I	1689.00		NIST
I	1710.00		NIST
I	1690.00		NIST
I	1713.00		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, Enthalpy of vaporization 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[351.74; 435.28]	J/mol×K	[538.96; 731.46]
Cp,gas	351.74	J/mol×K	538.96	Joback Calculated Property
Cp,gas	367.50	J/mol×K	571.04	Joback Calculated Property
Cp,gas	382.50	J/mol×K	603.13	Joback Calculated Property
Cp,gas	396.76	J/mol×K	635.21	Joback Calculated Property
Cp,gas	410.31	J/mol×K	667.29	Joback Calculated Property
Cp,gas	423.14	J/mol×K	699.37	Joback Calculated Property
Cp,gas	435.28	J/mol×K	731.46	Joback Calculated Property
η	[0.0001244; 0.0240696]	Pa×s	[264.70; 538.96]
η	0.0240696	Pa×s	264.70	Joback Calculated Property
η	0.0052446	Pa×s	310.41	Joback Calculated Property
η	0.0016898	Pa×s	356.12	Joback Calculated Property
η	0.0007045	Pa×s	401.83	Joback Calculated Property
η	0.0003512	Pa×s	447.54	Joback Calculated Property
η	0.0001992	Pa×s	493.25	Joback Calculated Property
η	0.0001244	Pa×s	538.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, 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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