Chemical Properties of «gamma»-HIMACHALENE

InChI

InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h6,10,13-14H,5,7-9H2,1-4H3

InChI Key

PUWNTRHCKNHSAT-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC1=CC2C(CC1)C(C)=CCCC2(C)C

Molecular Weight¹

204.35

Other Names

• (+)-«gamma»-himachalene

• 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).
• 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_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-65.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.82	kJ/mol	Joback Calculated Property
ΔvapH°	64.62	kJ/mol	Relay (1.0) Calculated Property
IE	8.07	eV	Relay (1.0) Calculated Property
logPoct/wat	4.725		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Inp	[1447.00; 1524.00]
Inp	Outlier 1515.00		NIST
Inp	1480.00		NIST
Inp	1470.00		NIST
Inp	1476.00		NIST
Inp	1468.00		NIST
Inp	1474.00		NIST
Inp	1479.00		NIST
Inp	1483.00		NIST
Inp	1479.00		NIST
Inp	1477.00		NIST
Inp	1477.00		NIST
Inp	1477.00		NIST
Inp	1477.00		NIST
Inp	1500.00		NIST
Inp	1483.00		NIST
Inp	1479.00		NIST
Inp	1482.00		NIST
Inp	1476.00		NIST
Inp	1449.00		NIST
Inp	1479.00		NIST
Inp	Outlier 1522.00		NIST
Inp	1470.00		NIST
Inp	Outlier 1447.00		NIST
Inp	1461.00		NIST
Inp	1476.00		NIST
Inp	1458.00		NIST
Inp	1475.00		NIST
Inp	1480.00		NIST
Inp	1469.00		NIST
Inp	1480.00		NIST
Inp	1475.00		NIST
Inp	1476.00		NIST
Inp	Outlier 1524.00		NIST
Inp	1468.00		NIST
Inp	1499.00		NIST
Inp	1468.00		NIST
Inp	1476.00		NIST
Inp	1500.00		NIST
Inp	1481.00		NIST
Inp	1471.00		NIST
Inp	1482.00		NIST
Inp	1500.00		NIST
Inp	Outlier 1515.00		NIST
Ip	[1692.00; 1737.00]
Ip	1723.00		NIST
Ip	1725.00		NIST
Ip	1737.00		NIST
Ip	1696.00		NIST
Ip	1700.00		NIST
Ip	1692.00		NIST
Ip	1721.00		NIST
Ip	1705.00		NIST
Ip	1705.00		NIST
Ip	1723.00		NIST
Ip	1711.00		NIST
Ip	1696.00		NIST
Tboil	537.25	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[242.83; 706.87]	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			-1.36730e+02
Coefficient B			1.71708e+00
Coefficient C			-1.31828e-03
Coefficient D			4.44800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	242.83	J/mol×K	273.00	Calculated Property
Cp,gas	325.44	J/mol×K	353.78	Calculated Property
Cp,gas	397.00	J/mol×K	434.56	Calculated Property
Cp,gas	458.92	J/mol×K	515.33	Calculated Property
Cp,gas	512.61	J/mol×K	596.11	Calculated Property
Cp,gas	559.48	J/mol×K	676.89	Calculated Property
Cp,gas	600.94	J/mol×K	757.67	Calculated Property
Cp,gas	638.38	J/mol×K	838.44	Calculated Property
Cp,gas	673.22	J/mol×K	919.22	Calculated Property
Cp,gas	706.87	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to «gamma»-HIMACHALENE.

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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