Chemical Properties of 3-Buten-2-ol, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)- (CAS 51138-08-0)

InChI

InChI=1S/C13H22O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9-10,14H,5,7-8H2,1-4H3/b9-6+

InChI Key

LMCSDSFJYOWGRV-RMKNXTFCSA-N

Formula

C13H22O2

SMILES

CC(O)C=CC12OC1(C)CCCC2(C)C

Molecular Weight¹

210.31

CAS

51138-08-0

Other Names

• 6-(3-Hydroxy-1-butenyl)-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol

• 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°	-1.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-319.12	kJ/mol	Joback Calculated Property
ΔfusH°	14.52	kJ/mol	Joback Calculated Property
ΔvapH°	61.53	kJ/mol	Joback Calculated Property
log10WS	-3.35		Crippen Calculated Property
logPoct/wat	2.661		Crippen Calculated Property
McVol	179.750	ml/mol	McGowan Calculated Property
Pc	2668.02	kPa	Joback Calculated Property
Inp	[1698.00; 1698.00]
Inp	1698.00		NIST
Inp	1698.00		NIST
Tboil	633.49	K	Joback Calculated Property
Tc	844.03	K	Joback Calculated Property
Tfus	403.40	K	Joback Calculated Property
Vc	0.676	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[510.90; 602.36]	J/mol×K	[633.49; 844.03]
Cp,gas	510.90	J/mol×K	633.49	Joback Calculated Property
Cp,gas	526.71	J/mol×K	668.58	Joback Calculated Property
Cp,gas	541.87	J/mol×K	703.67	Joback Calculated Property
Cp,gas	556.70	J/mol×K	738.76	Joback Calculated Property
Cp,gas	571.51	J/mol×K	773.85	Joback Calculated Property
Cp,gas	586.62	J/mol×K	808.94	Joback Calculated Property
Cp,gas	602.36	J/mol×K	844.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Buten-2-ol, 4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-.

Sources

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

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