Chemical Properties of Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S-exo)- (CAS 511-59-1)

InChI

InChI=1S/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13?,14?,15-/m0/s1

InChI Key

PGBNIHXXFQBCPU-NRXISQOPSA-N

Formula

C15H24

SMILES

C=C1C2CCC(C2)C1(C)CCC=C(C)C

Molecular Weight¹

204.35

CAS

511-59-1

Other Names

• Norbornane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-
• «beta»-Santalene
• (-)-«beta»-Santalene
• (1S-exo)-2-methyl-3-methylene-2-(4-methyl-3-pentenyl)bicyclo[2.2.1]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°	296.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-26.92	kJ/mol	Joback Calculated Property
ΔfusH°	21.28	kJ/mol	Joback Calculated Property
ΔvapH°	47.72	kJ/mol	Joback Calculated Property
log10WS	-4.87		Crippen Calculated Property
logPoct/wat	4.725		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	1915.26	kPa	Joback Calculated Property
Inp	[1437.00; 1492.00]
Inp	1462.00		NIST
Inp	1461.00		NIST
Inp	1463.00		NIST
Inp	1458.00		NIST
Inp	1445.00		NIST
Inp	1462.00		NIST
Inp	1461.00		NIST
Inp	1456.00		NIST
Inp	1462.00		NIST
Inp	1467.00		NIST
Inp	1449.00		NIST
Inp	1449.00		NIST
Inp	1463.30		NIST
Inp	Outlier 1492.00		NIST
Inp	1467.00		NIST
Inp	1457.00		NIST
Inp	Outlier 1492.00		NIST
Inp	1460.00		NIST
Inp	1460.00		NIST
Inp	1437.00		NIST
Inp	1463.00		NIST
Inp	1458.00		NIST
Inp	1449.00		NIST
Inp	1469.00		NIST
Inp	1445.00		NIST
Inp	1459.00		NIST
Inp	1465.00		NIST
Inp	1443.00		NIST
Inp	1467.00		NIST
Inp	1453.00		NIST
Inp	1450.00		NIST
Inp	1450.00		NIST
Inp	1444.00		NIST
Inp	1474.00		NIST
Inp	1474.00		NIST
Inp	1448.00		NIST
Inp	1448.00		NIST
Inp	1468.00		NIST
Inp	1444.00		NIST
Inp	1468.00		NIST
I	[1617.00; 1663.00]
I	1648.00		NIST
I	1620.00		NIST
I	1655.00		NIST
I	Outlier 1617.00		NIST
I	1656.00		NIST
I	1628.00		NIST
I	1663.00		NIST
I	1649.00		NIST
I	1653.00		NIST
I	1653.00		NIST
I	1646.00		NIST
I	1656.00		NIST
I	1653.00		NIST
I	1648.00		NIST
Tboil	559.12	K	Joback Calculated Property
Tc	765.28	K	Joback Calculated Property
Tfus	305.47	K	Joback Calculated Property
Vc	0.744	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[495.48; 603.56]	J/mol×K	[559.12; 765.28]
Cp,gas	495.48	J/mol×K	559.12	Joback Calculated Property
Cp,gas	516.19	J/mol×K	593.48	Joback Calculated Property
Cp,gas	535.61	J/mol×K	627.84	Joback Calculated Property
Cp,gas	553.91	J/mol×K	662.20	Joback Calculated Property
Cp,gas	571.23	J/mol×K	696.56	Joback Calculated Property
Cp,gas	587.73	J/mol×K	730.92	Joback Calculated Property
Cp,gas	603.56	J/mol×K	765.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S-exo)-.

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.