Chemical Properties of trans-Sabinene hydrate acetate

InChI

InChI=1S/C12H20O2/c1-8(2)12-6-5-11(4,10(12)7-12)14-9(3)13/h8,10H,5-7H2,1-4H3/t10?,11-,12-/m0/s1

InChI Key

MYCFGFMJUUNKBN-RAMGSTBQSA-N

Formula

C12H20O2

SMILES

CC(=O)OC1(C)CCC2(C(C)C)CC12

Molecular Weight¹

196.29

• 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.
• 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°	-83.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-385.35	kJ/mol	Joback Calculated Property
ΔfusH°	10.84	kJ/mol	Joback Calculated Property
ΔvapH°	48.29	kJ/mol	Joback Calculated Property
log10WS	-2.88		Crippen Calculated Property
logPoct/wat	2.764		Crippen Calculated Property
McVol	165.660	ml/mol	McGowan Calculated Property
Pc	2502.50	kPa	Joback Calculated Property
Inp	[1216.00; 1286.00]
Inp	1254.00		NIST
Inp	1286.00		NIST
Inp	1216.00		NIST
Inp	1258.00		NIST
Tboil	559.10	K	Joback Calculated Property
Tc	772.02	K	Joback Calculated Property
Tfus	361.60	K	Joback Calculated Property
Vc	0.634	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[436.10; 528.87]	J/mol×K	[559.10; 772.02]
Cp,gas	436.10	J/mol×K	559.10	Joback Calculated Property
Cp,gas	453.75	J/mol×K	594.59	Joback Calculated Property
Cp,gas	470.23	J/mol×K	630.07	Joback Calculated Property
Cp,gas	485.75	J/mol×K	665.56	Joback Calculated Property
Cp,gas	500.56	J/mol×K	701.04	Joback Calculated Property
Cp,gas	514.85	J/mol×K	736.53	Joback Calculated Property
Cp,gas	528.87	J/mol×K	772.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-Sabinene hydrate acetate.

Sources

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

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