Chemical Properties of (R)-1-Methyl-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene (CAS 28976-67-2)

InChI

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

InChI Key

OFTGWWXCYHSXPO-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC(C)=CCCC(C)C1C=CC(C)C=C1

Molecular Weight¹

204.35

CAS

28976-67-2

Other Names

• «beta»-Curcumene
• 1,4-Cyclohexadiene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-, (R)-
• «beta»-Curcumenene

• 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°	221.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-101.24	kJ/mol	Joback Calculated Property
ΔfusH°	25.32	kJ/mol	Joback Calculated Property
ΔvapH°	49.34	kJ/mol	Joback Calculated Property
log10WS	-4.83		Crippen Calculated Property
logPoct/wat	4.747		Crippen Calculated Property
McVol	198.450	ml/mol	McGowan Calculated Property
Pc	1812.32	kPa	Joback Calculated Property
Inp	[1480.00; 1523.00]
Inp	1509.00		NIST
Inp	1512.00		NIST
Inp	1510.00		NIST
Inp	1512.00		NIST
Inp	1512.00		NIST
Inp	1517.00		NIST
Inp	1503.00		NIST
Inp	1513.00		NIST
Inp	1507.00		NIST
Inp	1510.00		NIST
Inp	1516.00		NIST
Inp	1501.00		NIST
Inp	1510.00		NIST
Inp	1498.00		NIST
Inp	1503.00		NIST
Inp	1502.00		NIST
Inp	1512.00		NIST
Inp	1503.00		NIST
Inp	1512.00		NIST
Inp	1516.00		NIST
Inp	1517.00		NIST
Inp	1516.00		NIST
Inp	1523.00		NIST
Inp	1516.00		NIST
Inp	1512.00		NIST
Inp	1518.00		NIST
Inp	1518.00		NIST
Inp	1517.00		NIST
Inp	1512.00		NIST
Inp	1504.00		NIST
Inp	1516.00		NIST
Inp	1508.00		NIST
Inp	1514.00		NIST
Inp	1506.00		NIST
Inp	1519.00		NIST
Inp	Outlier 1492.00		NIST
Inp	1511.00		NIST
Inp	1513.00		NIST
Inp	1514.00		NIST
Inp	1510.00		NIST
Inp	1516.00		NIST
Inp	1516.00		NIST
Inp	1512.00		NIST
Inp	1510.00		NIST
Inp	1515.00		NIST
Inp	1516.00		NIST
Inp	1500.00		NIST
Inp	1506.00		NIST
Inp	Outlier 1480.00		NIST
Inp	1516.00		NIST
Inp	1500.00		NIST
Inp	1516.00		NIST
Inp	Outlier 1493.00		NIST
Inp	1512.00		NIST
Inp	1502.00		NIST
Inp	1500.00		NIST
I	[1711.00; 1756.00]
I	1756.00		NIST
I	1728.00		NIST
I	1734.00		NIST
I	1731.00		NIST
I	1712.00		NIST
I	1740.00		NIST
I	1733.00		NIST
I	1741.00		NIST
I	1741.00		NIST
I	1736.00		NIST
I	1711.00		NIST
I	1744.00		NIST
I	1755.00		NIST
I	1756.00		NIST
Tboil	559.40	K	Joback Calculated Property
Tc	763.53	K	Joback Calculated Property
Tfus	229.43	K	Joback Calculated Property
Vc	0.754	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[494.30; 605.38]	J/mol×K	[559.40; 763.53]
Cp,gas	494.30	J/mol×K	559.40	Joback Calculated Property
Cp,gas	515.63	J/mol×K	593.42	Joback Calculated Property
Cp,gas	535.77	J/mol×K	627.44	Joback Calculated Property
Cp,gas	554.77	J/mol×K	661.47	Joback Calculated Property
Cp,gas	572.67	J/mol×K	695.49	Joback Calculated Property
Cp,gas	589.52	J/mol×K	729.51	Joback Calculated Property
Cp,gas	605.38	J/mol×K	763.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to (R)-1-Methyl-4-(6-methylhept-5-en-2-yl)cyclohexa-1,4-diene.

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.