Chemical Properties of (-)-trans-Pinane (CAS 33626-25-4)

InChI

InChI=1S/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8+,9-/m1/s1

InChI Key

XOKSLPVRUOBDEW-HRDYMLBCSA-N

Formula

C10H18

SMILES

CC1CCC2CC1C2(C)C

Molecular Weight¹

138.25

CAS

33626-25-4

Other Names

• (1S)-(-)-trans-pinane
• (1S,2S,5S)-(-)-pinane
• (1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
• 2,6,6-Trimethyl-bicyclo[3.1.1]heptane, trans
• 2,6,6-Trimethylbicyclo[3.1.1]heptane, (1«alpha»,2«alpha»,5«alpha»)
• E-pinane
• Pinane, trans
• trans-Pinane

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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
ΔfH°gas	-70.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.67	kJ/mol	Joback Calculated Property
logPoct/wat	3.079		Crippen Calculated Property
McVol	130.040	ml/mol	McGowan Calculated Property
Inp	[972.00; 1004.00]
Inp	1004.00		NIST
Inp	972.00		NIST
Inp	981.00		NIST
Inp	981.00		NIST
Inp	1004.00		NIST
I	[1062.00; 1069.00]
I	1069.00		NIST
I	1062.00		NIST
I	1062.00		NIST
I	1069.00		NIST
Tboil	436.40 ± 3.00	K	NIST
Tfus	238.93	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[287.02; 389.91]	J/mol×K	[436.85; 642.10]
Cp,gas	287.02	J/mol×K	436.85	Joback Calculated Property
Cp,gas	307.28	J/mol×K	471.06	Joback Calculated Property
Cp,gas	326.14	J/mol×K	505.27	Joback Calculated Property
Cp,gas	343.70	J/mol×K	539.47	Joback Calculated Property
Cp,gas	360.10	J/mol×K	573.68	Joback Calculated Property
Cp,gas	375.46	J/mol×K	607.89	Joback Calculated Property
Cp,gas	389.91	J/mol×K	642.10	Joback Calculated Property
Pvap	[2.87e-03; 0.69]	kPa	[238.15; 308.15]
Pvap	2.87e-03	kPa	238.15	Thermodynamic study of selected monoterpenes III
Pvap	2.87e-03	kPa	238.15	Thermodynamic study of selected monoterpenes III
Pvap	2.87e-03	kPa	238.15	Thermodynamic study of selected monoterpenes III
Pvap	4.79e-03	kPa	243.15	Thermodynamic study of selected monoterpenes III
Pvap	4.79e-03	kPa	243.15	Thermodynamic study of selected monoterpenes III
Pvap	4.79e-03	kPa	243.15	Thermodynamic study of selected monoterpenes III
Pvap	7.83e-03	kPa	248.15	Thermodynamic study of selected monoterpenes III
Pvap	7.84e-03	kPa	248.15	Thermodynamic study of selected monoterpenes III
Pvap	7.84e-03	kPa	248.15	Thermodynamic study of selected monoterpenes III
Pvap	0.01	kPa	253.15	Thermodynamic study of selected monoterpenes III
Pvap	0.01	kPa	253.15	Thermodynamic study of selected monoterpenes III
Pvap	0.01	kPa	253.15	Thermodynamic study of selected monoterpenes III
Pvap	0.02	kPa	258.15	Thermodynamic study of selected monoterpenes III
Pvap	0.02	kPa	258.15	Thermodynamic study of selected monoterpenes III
Pvap	0.02	kPa	258.15	Thermodynamic study of selected monoterpenes III
Pvap	0.03	kPa	263.15	Thermodynamic study of selected monoterpenes III
Pvap	0.03	kPa	263.15	Thermodynamic study of selected monoterpenes III
Pvap	0.03	kPa	263.15	Thermodynamic study of selected monoterpenes III
Pvap	0.05	kPa	268.15	Thermodynamic study of selected monoterpenes III
Pvap	0.05	kPa	268.15	Thermodynamic study of selected monoterpenes III
Pvap	0.05	kPa	268.15	Thermodynamic study of selected monoterpenes III
Pvap	0.07	kPa	273.15	Thermodynamic study of selected monoterpenes III
Pvap	0.07	kPa	273.15	Thermodynamic study of selected monoterpenes III
Pvap	0.07	kPa	273.15	Thermodynamic study of selected monoterpenes III
Pvap	0.07	kPa	273.65	Thermodynamic study of selected monoterpenes III
Pvap	0.07	kPa	273.65	Thermodynamic study of selected monoterpenes III
Pvap	0.07	kPa	273.65	Thermodynamic study of selected monoterpenes III
Pvap	0.10	kPa	278.15	Thermodynamic study of selected monoterpenes III
Pvap	0.10	kPa	278.15	Thermodynamic study of selected monoterpenes III
Pvap	0.10	kPa	278.15	Thermodynamic study of selected monoterpenes III
Pvap	0.14	kPa	283.15	Thermodynamic study of selected monoterpenes III
Pvap	0.14	kPa	283.15	Thermodynamic study of selected monoterpenes III
Pvap	0.14	kPa	283.15	Thermodynamic study of selected monoterpenes III
Pvap	0.20	kPa	288.15	Thermodynamic study of selected monoterpenes III
Pvap	0.20	kPa	288.15	Thermodynamic study of selected monoterpenes III
Pvap	0.20	kPa	288.15	Thermodynamic study of selected monoterpenes III
Pvap	0.27	kPa	293.15	Thermodynamic study of selected monoterpenes III
Pvap	0.27	kPa	293.15	Thermodynamic study of selected monoterpenes III
Pvap	0.27	kPa	293.15	Thermodynamic study of selected monoterpenes III
Pvap	0.38	kPa	298.15	Thermodynamic study of selected monoterpenes III
Pvap	0.38	kPa	298.15	Thermodynamic study of selected monoterpenes III
Pvap	0.38	kPa	298.15	Thermodynamic study of selected monoterpenes III
Pvap	0.51	kPa	303.15	Thermodynamic study of selected monoterpenes III
Pvap	0.51	kPa	303.15	Thermodynamic study of selected monoterpenes III
Pvap	0.51	kPa	303.15	Thermodynamic study of selected monoterpenes III
Pvap	0.69	kPa	308.15	Thermodynamic study of selected monoterpenes III
Pvap	0.69	kPa	308.15	Thermodynamic study of selected monoterpenes III
Pvap	0.69	kPa	308.15	Thermodynamic study of selected monoterpenes III

Similar Compounds

Find more compounds similar to (-)-trans-Pinane.

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
• Thermodynamic study of selected monoterpenes III
• Joback Method
• McGowan Method
• NIST Webbook

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