Chemical Properties of 3,6-Dihydrochamazulene (CAS 18454-88-1)

InChI

InChI=1S/C14H18/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-6,9H,4,7-8H2,1-3H3

InChI Key

NVMJWYJTLVURAS-UHFFFAOYSA-N

Formula

C14H18

SMILES

CCC1=CC2=C(CC=C2C)C(C)=CC1

Molecular Weight¹

186.29

CAS

18454-88-1

• 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).
• 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°	227.21	kJ/mol	Joback Calculated Property
ΔfH°gas	3.12	kJ/mol	Joback Calculated Property
ΔfusH°	20.69	kJ/mol	Joback Calculated Property
ΔvapH°	52.37	kJ/mol	Joback Calculated Property
log10WS	-4.89		Crippen Calculated Property
logPoct/wat	4.319		Crippen Calculated Property
McVol	169.200	ml/mol	McGowan Calculated Property
Pc	2340.56	kPa	Joback Calculated Property
Inp	[1518.70; 1518.70]
Inp	1518.70		NIST
Inp	1518.70		NIST
I	2350.00		NIST
Tboil	581.16	K	Joback Calculated Property
Tc	803.09	K	Joback Calculated Property
Tfus	343.46	K	Joback Calculated Property
Vc	0.647	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[409.59; 498.62]	J/mol×K	[581.16; 803.09]
Cp,gas	409.59	J/mol×K	581.16	Joback Calculated Property
Cp,gas	426.83	J/mol×K	618.15	Joback Calculated Property
Cp,gas	443.03	J/mol×K	655.14	Joback Calculated Property
Cp,gas	458.26	J/mol×K	692.12	Joback Calculated Property
Cp,gas	472.56	J/mol×K	729.11	Joback Calculated Property
Cp,gas	486.00	J/mol×K	766.10	Joback Calculated Property
Cp,gas	498.62	J/mol×K	803.09	Joback Calculated Property
η	[0.0002680; 0.0012701]	Pa×s	[343.46; 581.16]
η	0.0012701	Pa×s	343.46	Joback Calculated Property
η	0.0008570	Pa×s	383.08	Joback Calculated Property
η	0.0006225	Pa×s	422.69	Joback Calculated Property
η	0.0004777	Pa×s	462.31	Joback Calculated Property
η	0.0003822	Pa×s	501.93	Joback Calculated Property
η	0.0003159	Pa×s	541.54	Joback Calculated Property
η	0.0002680	Pa×s	581.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,6-Dihydrochamazulene.

Sources

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

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