Chemical Properties of 3,4-Dehydrocineole

InChI

InChI=1S/C10H16O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h4H,5-7H2,1-3H3

InChI Key

CAEVFYKCVGNSKS-UHFFFAOYSA-N

Formula

C10H16O

SMILES

CC12CC=C(CC1)C(C)(C)O2

Molecular Weight¹

152.23

• 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°	53.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-171.66	kJ/mol	Joback Calculated Property
ΔfusH°	9.94	kJ/mol	Joback Calculated Property
ΔvapH°	41.19	kJ/mol	Joback Calculated Property
log10WS	-2.96		Crippen Calculated Property
logPoct/wat	2.664		Crippen Calculated Property
McVol	131.610	ml/mol	McGowan Calculated Property
Pc	3206.41	kPa	Joback Calculated Property
Inp	[975.00; 975.00]
Inp	975.00		NIST
Inp	975.00		NIST
I	[1197.00; 1197.00]
I	1197.00		NIST
I	1197.00		NIST
Tboil	481.79	K	Joback Calculated Property
Tc	708.23	K	Joback Calculated Property
Tfus	318.95	K	Joback Calculated Property
Vc	0.496	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[306.37; 394.01]	J/mol×K	[481.79; 708.23]
Cp,gas	306.37	J/mol×K	481.79	Joback Calculated Property
Cp,gas	324.18	J/mol×K	519.53	Joback Calculated Property
Cp,gas	340.36	J/mol×K	557.27	Joback Calculated Property
Cp,gas	355.16	J/mol×K	595.01	Joback Calculated Property
Cp,gas	368.87	J/mol×K	632.75	Joback Calculated Property
Cp,gas	381.73	J/mol×K	670.49	Joback Calculated Property
Cp,gas	394.01	J/mol×K	708.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Dehydrocineole.

Sources

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

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