Chemical Properties of (2-Propynyloxy)benzene (CAS 13045-88-0)

InChI

InChI=1S/C9H8O/c1-2-8-10-9-6-4-3-5-7-9/h1,3-7H,8H2

InChI Key

AIQRJSXKXVZCJO-UHFFFAOYSA-N

Formula

C9H8O

SMILES

C#CCOc1ccccc1

Molecular Weight¹

132.16

CAS

13045-88-0

• 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 : 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°	255.38	kJ/mol	Joback Calculated Property
ΔfH°gas	167.12	kJ/mol	Joback Calculated Property
ΔfusH°	17.27	kJ/mol	Joback Calculated Property
ΔvapH°	40.17	kJ/mol	Joback Calculated Property
log10WS	-2.22		Crippen Calculated Property
logPoct/wat	1.699		Crippen Calculated Property
McVol	111.180	ml/mol	McGowan Calculated Property
Pc	3810.39	kPa	Joback Calculated Property
I	[1800.00; 1800.00]
I	1800.00		NIST
I	1800.00		NIST
Tboil	444.54	K	Joback Calculated Property
Tc	666.28	K	Joback Calculated Property
Tfus	286.81	K	Joback Calculated Property
Vc	0.411	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[208.93; 270.63]	J/mol×K	[444.54; 666.28]
Cp,gas	208.93	J/mol×K	444.54	Joback Calculated Property
Cp,gas	220.90	J/mol×K	481.50	Joback Calculated Property
Cp,gas	232.16	J/mol×K	518.45	Joback Calculated Property
Cp,gas	242.73	J/mol×K	555.41	Joback Calculated Property
Cp,gas	252.66	J/mol×K	592.37	Joback Calculated Property
Cp,gas	261.95	J/mol×K	629.33	Joback Calculated Property
Cp,gas	270.63	J/mol×K	666.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to (2-Propynyloxy)benzene.

Sources

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

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