Chemical Properties of 2-Heptenol (CAS 22104-77-4)

InChI

InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h5-6,8H,2-4,7H2,1H3/b6-5-

InChI Key

ASFYPVGAALGVNR-WAYWQWQTSA-N

Formula

C7H14O

SMILES

CCCCC=CCO

Molecular Weight¹

114.19

CAS

22104-77-4

Other Names

• 2-hepten-1-ol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• 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).
• P_vap : Vapor 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
ω	0.5928		Relay (1.0) Calculated Property
ΔfG°	-48.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-267.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.18	kJ/mol	Joback Calculated Property
ΔvapH°	65.11	kJ/mol	Relay (1.0) Calculated Property
IE	9.02	eV	Relay (1.0) Calculated Property
log10WS	-1.58		Relay (1.0) Calculated Property
logPoct/wat	1.725		Crippen Calculated Property
McVol	111.060	ml/mol	McGowan Calculated Property
Pc	3280.28	kPa	Joback Calculated Property
Inp	[1051.00; 1052.00]
Inp	1051.00		NIST
Inp	1052.00		NIST
I	1308.00		NIST
Tboil	448.01	K	Relay (1.0) Calculated Property
Tc	627.89	K	Relay (1.0) Calculated Property
Tfus	220.35	K	Relay (1.0) Calculated Property
Vc	0.398	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[231.48; 286.52]	J/mol×K	[455.90; 623.65]
Cp,gas	231.48	J/mol×K	455.90	Joback Calculated Property
Cp,gas	241.71	J/mol×K	483.86	Joback Calculated Property
Cp,gas	251.49	J/mol×K	511.82	Joback Calculated Property
Cp,gas	260.84	J/mol×K	539.78	Joback Calculated Property
Cp,gas	269.79	J/mol×K	567.74	Joback Calculated Property
Cp,gas	278.34	J/mol×K	595.69	Joback Calculated Property
Cp,gas	286.52	J/mol×K	623.65	Joback Calculated Property
η	[0.0001710; 0.0712349]	Pa×s	[224.39; 455.90]
η	0.0712349	Pa×s	224.39	Joback Calculated Property
η	0.0124675	Pa×s	262.97	Joback Calculated Property
η	0.0034085	Pa×s	301.56	Joback Calculated Property
η	0.0012506	Pa×s	340.14	Joback Calculated Property
η	0.0005629	Pa×s	378.73	Joback Calculated Property
η	0.0002936	Pa×s	417.31	Joback Calculated Property
η	0.0001710	Pa×s	455.90	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[345.72; 476.87]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.59944e+01
Coefficient B			-4.38019e+03
Coefficient C			-6.68480e+01
Temperature range, min.			345.72
Temperature range, max.			476.87
Pvap	1.33	kPa	345.72	Calculated Property
Pvap	2.91	kPa	360.29	Calculated Property
Pvap	5.89	kPa	374.86	Calculated Property
Pvap	11.20	kPa	389.44	Calculated Property
Pvap	20.15	kPa	404.01	Calculated Property
Pvap	34.51	kPa	418.58	Calculated Property
Pvap	56.64	kPa	433.15	Calculated Property
Pvap	89.49	kPa	447.73	Calculated Property
Pvap	136.72	kPa	462.30	Calculated Property
Pvap	202.67	kPa	476.87	Calculated Property

Similar Compounds

Find more compounds similar to 2-Heptenol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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