Chemical Properties of Tricyclo[2.2.1.0(2,6)]heptane, 1,7-dimethyl-7-(4-methyl-3-pentenyl)-, (-)- (CAS 512-61-8)

InChI

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

InChI Key

KWFJIXPIFLVMPM-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC(C)=CCCC1(C)C2CC3C(C2)C31C

Molecular Weight¹

204.35

CAS

512-61-8

Other Names

• «alpha»-Santalene
• (-)-«alpha»-Santalene
• Santalen
• Santalene
• 1,7-Dimethyl-7-(4-methyl-3-pentenyl)-tricyclo[2.2.1.0(2,6)]heptane, (-)-
• 1,7-Dimethyl-7-(4-methyl-3-pentenyl)-tricyclo[2.2.1.0(2,6)]heptane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	327.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-24.98	kJ/mol	Joback Calculated Property
ΔfusH°	21.65	kJ/mol	Joback Calculated Property
ΔvapH°	45.50	kJ/mol	Joback Calculated Property
log10WS	-4.43		Crippen Calculated Property
logPoct/wat	4.415		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Pc	1998.33	kPa	Joback Calculated Property
Inp	[1405.00; 1470.00]
Inp	1420.00		NIST
Inp	1418.00		NIST
Inp	1410.00		NIST
Inp	1424.00		NIST
Inp	1420.00		NIST
Inp	1417.00		NIST
Inp	1420.00		NIST
Inp	1410.00		NIST
Inp	1417.00		NIST
Inp	1420.00		NIST
Inp	Outlier 1452.00		NIST
Inp	1424.20		NIST
Inp	1431.00		NIST
Inp	Outlier 1449.00		NIST
Inp	Outlier 1447.00		NIST
Inp	1422.00		NIST
Inp	1419.00		NIST
Inp	1427.00		NIST
Inp	1421.00		NIST
Inp	1428.00		NIST
Inp	1418.00		NIST
Inp	1428.00		NIST
Inp	1440.00		NIST
Inp	1414.00		NIST
Inp	1435.00		NIST
Inp	1424.00		NIST
Inp	1421.00		NIST
Inp	1412.00		NIST
Inp	1428.00		NIST
Inp	1432.00		NIST
Inp	1405.00		NIST
Inp	1405.00		NIST
Inp	1407.00		NIST
Inp	1409.00		NIST
Inp	1409.00		NIST
Inp	1424.00		NIST
Inp	1412.00		NIST
Inp	1412.00		NIST
Inp	1418.00		NIST
Inp	1415.00		NIST
Inp	1423.00		NIST
Inp	1414.00		NIST
Inp	1414.00		NIST
Inp	1418.00		NIST
Inp	1412.00		NIST
Inp	Outlier 1470.00		NIST
Inp	1420.00		NIST
Inp	1412.00		NIST
Inp	1412.00		NIST
Inp	1420.00		NIST
I	[1555.00; 1608.00]
I	1569.00		NIST
I	1566.00		NIST
I	1597.00		NIST
I	1597.00		NIST
I	1601.00		NIST
I	1555.00		NIST
I	1574.00		NIST
I	1574.00		NIST
I	1574.00		NIST
I	1583.00		NIST
I	1576.00		NIST
I	1608.00		NIST
I	1574.00		NIST
Tboil	549.46	K	Joback Calculated Property
Tc	755.18	K	Joback Calculated Property
Tfus	339.95	K	Joback Calculated Property
Vc	0.738	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[497.79; 602.95]	J/mol×K	[549.46; 755.18]
Cp,gas	497.79	J/mol×K	549.46	Joback Calculated Property
Cp,gas	518.15	J/mol×K	583.75	Joback Calculated Property
Cp,gas	537.02	J/mol×K	618.03	Joback Calculated Property
Cp,gas	554.67	J/mol×K	652.32	Joback Calculated Property
Cp,gas	571.36	J/mol×K	686.61	Joback Calculated Property
Cp,gas	587.36	J/mol×K	720.90	Joback Calculated Property
Cp,gas	602.95	J/mol×K	755.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[2.2.1.0(2,6)]heptane, 1,7-dimethyl-7-(4-methyl-3-pentenyl)-, (-)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.