Chemical Properties of Isogermacrene D (CAS 317819-80-0)

InChI

InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8-,14-7-/t15-/m0/s1

InChI Key

GAIBLDCXCZKKJE-ACWLMNNXSA-N

Formula

C15H24

SMILES

C=C1C=CC(C(C)C)CCC(C)=CCC1

Molecular Weight¹

204.35

CAS

317819-80-0

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.2828		Relay (1.0) Calculated Property
ΔfG°	152.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-32.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.41	kJ/mol	Joback Calculated Property
ΔvapH°	62.76	kJ/mol	Relay (1.0) Calculated Property
IE	8.13	eV	Relay (1.0) Calculated Property
log10WS	-5.10		Relay (1.0) Calculated Property
logPoct/wat	4.891		Crippen Calculated Property
McVol	198.450	ml/mol	McGowan Calculated Property
Pc	1942.37	kPa	Joback Calculated Property
Inp	[1431.00; 1452.00]
Inp	1431.00		NIST
Inp	1439.00		NIST
Inp	1451.00		NIST
Inp	1442.00		NIST
Inp	1452.00		NIST
Inp	1445.00		NIST
Inp	1431.00		NIST
Inp	1442.00		NIST
I	1665.00		NIST
Tboil	535.34	K	Relay (1.0) Calculated Property
Tc	719.26	K	Relay (1.0) Calculated Property
Tfus	248.37	K	Relay (1.0) Calculated Property
Vc	0.647	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[499.53; 621.12]	J/mol×K	[581.25; 804.50]
Cp,gas	499.53	J/mol×K	581.25	Joback Calculated Property
Cp,gas	523.14	J/mol×K	618.46	Joback Calculated Property
Cp,gas	545.41	J/mol×K	655.67	Joback Calculated Property
Cp,gas	566.34	J/mol×K	692.88	Joback Calculated Property
Cp,gas	585.93	J/mol×K	730.09	Joback Calculated Property
Cp,gas	604.19	J/mol×K	767.29	Joback Calculated Property
Cp,gas	621.12	J/mol×K	804.50	Joback Calculated Property
η	[0.0000689; 0.0085131]	Pa×s	[264.83; 581.25]
η	0.0085131	Pa×s	264.83	Joback Calculated Property
η	0.0019587	Pa×s	317.57	Joback Calculated Property
η	0.0006848	Pa×s	370.30	Joback Calculated Property
η	0.0003112	Pa×s	423.04	Joback Calculated Property
η	0.0001684	Pa×s	475.78	Joback Calculated Property
η	0.0001030	Pa×s	528.51	Joback Calculated Property
η	0.0000689	Pa×s	581.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isogermacrene D.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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