Chemical Properties of 3,7-Cyclodecadien-1-one, 3,7-dimethyl-10-(1-methylethylidene)-, (E,E)- (CAS 6902-91-6)

InChI

InChI=1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h7-8H,5-6,9-10H2,1-4H3/b12-8-,13-7-

InChI Key

CAULGCQHVOVVRN-SVGXSMIJSA-N

Formula

C15H22O

SMILES

CC1=CCC(=C(C)C)C(=O)CC(C)=CCC1

Molecular Weight¹

218.33

CAS

6902-91-6

Other Names

• Germacra-3,7(11),9-trien-6-one, (E,E)-
• Germacron
• Germacrone
• 3,7-Dimethyl-10-(1-methylethylidene)-3,7-cyclodecadien-1-one, (trans,trans)-
• (E,E)-Germacrone

• 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°	14.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-281.75	kJ/mol	Joback Calculated Property
ΔfusH°	17.16	kJ/mol	Joback Calculated Property
ΔvapH°	57.43	kJ/mol	Joback Calculated Property
log10WS	-4.84		Crippen Calculated Property
logPoct/wat	4.359		Crippen Calculated Property
McVol	200.020	ml/mol	McGowan Calculated Property
Pc	2049.31	kPa	Joback Calculated Property
Inp	[1644.00; 1733.00]
Inp	1677.00		NIST
Inp	1693.00		NIST
Inp	1669.00		NIST
Inp	1691.00		NIST
Inp	1696.00		NIST
Inp	1691.30		NIST
Inp	1689.00		NIST
Inp	1693.00		NIST
Inp	1707.90		NIST
Inp	1694.00		NIST
Inp	1705.00		NIST
Inp	Outlier 1733.00		NIST
Inp	1690.00		NIST
Inp	1705.00		NIST
Inp	1675.00		NIST
Inp	1658.00		NIST
Inp	1688.00		NIST
Inp	1690.00		NIST
Inp	1694.00		NIST
Inp	1693.00		NIST
Inp	1694.00		NIST
Inp	1694.00		NIST
Inp	1687.00		NIST
Inp	1694.00		NIST
Inp	Outlier 1644.00		NIST
I	[2209.00; 2254.00]
I	2217.00		NIST
I	2209.00		NIST
I	2212.00		NIST
I	2223.00		NIST
I	2254.00		NIST
Tboil	666.52	K	Joback Calculated Property
Tc	907.31	K	Joback Calculated Property
Tfus	347.53	K	Joback Calculated Property
Vc	0.741	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[539.74; 648.08]	J/mol×K	[666.52; 907.31]
Cp,gas	539.74	J/mol×K	666.52	Joback Calculated Property
Cp,gas	561.51	J/mol×K	706.65	Joback Calculated Property
Cp,gas	581.83	J/mol×K	746.78	Joback Calculated Property
Cp,gas	600.67	J/mol×K	786.92	Joback Calculated Property
Cp,gas	618.01	J/mol×K	827.05	Joback Calculated Property
Cp,gas	633.82	J/mol×K	867.18	Joback Calculated Property
Cp,gas	648.08	J/mol×K	907.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,7-Cyclodecadien-1-one, 3,7-dimethyl-10-(1-methylethylidene)-, (E,E)-.

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.