Chemical Properties of 4-Hydroxy-1-(2-tetrahydropyranyloxy)dodec-5-yne

InChI

InChI=1S/C17H30O3/c1-2-3-4-5-6-7-11-16(18)12-10-15-20-17-13-8-9-14-19-17/h16-18H,2-6,8-10,12-15H2,1H3

InChI Key

VPAKFIVPDQNHIO-UHFFFAOYSA-N

Formula

C17H30O3

SMILES

CCCCCCC#CC(O)CCCOC1CCCCO1

Molecular Weight¹

282.42

• 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°	-10.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-489.32	kJ/mol	Joback Calculated Property
ΔfusH°	44.47	kJ/mol	Joback Calculated Property
ΔvapH°	79.23	kJ/mol	Joback Calculated Property
log10WS	-4.78		Crippen Calculated Property
logPoct/wat	3.645		Crippen Calculated Property
McVol	248.540	ml/mol	McGowan Calculated Property
Pc	1720.31	kPa	Joback Calculated Property
Inp	[2141.00; 2141.00]
Inp	2141.00		NIST
Inp	2141.00		NIST
Tboil	758.02	K	Joback Calculated Property
Tc	952.17	K	Joback Calculated Property
Tfus	489.45	K	Joback Calculated Property
Vc	0.934	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[767.79; 860.12]	J/mol×K	[758.02; 952.17]
Cp,gas	767.79	J/mol×K	758.02	Joback Calculated Property
Cp,gas	785.71	J/mol×K	790.38	Joback Calculated Property
Cp,gas	802.59	J/mol×K	822.74	Joback Calculated Property
Cp,gas	818.44	J/mol×K	855.09	Joback Calculated Property
Cp,gas	833.30	J/mol×K	887.45	Joback Calculated Property
Cp,gas	847.18	J/mol×K	919.81	Joback Calculated Property
Cp,gas	860.12	J/mol×K	952.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Hydroxy-1-(2-tetrahydropyranyloxy)dodec-5-yne.

Sources

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

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