Chemical Properties of 1-Hepten-4-ol (CAS 3521-91-3)

InChI

InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3,7-8H,1,4-6H2,2H3

InChI Key

AQTUHJABKZECGA-UHFFFAOYSA-N

Formula

C7H14O

SMILES

C=CCC(O)CCC

Molecular Weight¹

114.19

CAS

3521-91-3

Other Names

• hept-1-en-4-ol

• 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).
• 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 : 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°	-43.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-219.89	kJ/mol	Joback Calculated Property
ΔfusH°	13.17	kJ/mol	Joback Calculated Property
ΔvapH°	46.80	kJ/mol	Joback Calculated Property
log10WS	-1.98		Crippen Calculated Property
logPoct/wat	1.723		Crippen Calculated Property
McVol	111.060	ml/mol	McGowan Calculated Property
Pc	3272.78	kPa	Joback Calculated Property
I	[1495.00; 1585.00]
I	1495.00		NIST
I	1585.00		NIST
Tboil	447.98	K	Joback Calculated Property
Tc	614.85	K	Joback Calculated Property
Tfus	212.71	K	Joback Calculated Property
Vc	0.421	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[231.57; 287.25]	J/mol×K	[447.98; 614.85]
Cp,gas	231.57	J/mol×K	447.98	Joback Calculated Property
Cp,gas	241.86	J/mol×K	475.79	Joback Calculated Property
Cp,gas	251.73	J/mol×K	503.60	Joback Calculated Property
Cp,gas	261.19	J/mol×K	531.42	Joback Calculated Property
Cp,gas	270.26	J/mol×K	559.23	Joback Calculated Property
Cp,gas	278.94	J/mol×K	587.04	Joback Calculated Property
Cp,gas	287.25	J/mol×K	614.85	Joback Calculated Property
η	[0.0002056; 0.1469952]	Pa×s	[212.71; 447.98]
η	0.1469952	Pa×s	212.71	Joback Calculated Property
η	0.0209602	Pa×s	251.92	Joback Calculated Property
η	0.0050507	Pa×s	291.13	Joback Calculated Property
η	0.0017062	Pa×s	330.35	Joback Calculated Property
η	0.0007257	Pa×s	369.56	Joback Calculated Property
η	0.0003636	Pa×s	408.77	Joback Calculated Property
η	0.0002056	Pa×s	447.98	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.30; 202.63]	kPa	[299.15; 484.11]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37383e+01
Coefficient B			-3.57362e+03
Coefficient C			-6.00370e+01
Temperature range, min.			299.15
Temperature range, max.			484.11
Pvap	0.30	kPa	299.15	Calculated Property
Pvap	0.98	kPa	319.70	Calculated Property
Pvap	2.68	kPa	340.25	Calculated Property
Pvap	6.40	kPa	360.80	Calculated Property
Pvap	13.69	kPa	381.35	Calculated Property
Pvap	26.71	kPa	401.91	Calculated Property
Pvap	48.32	kPa	422.46	Calculated Property
Pvap	82.02	kPa	443.01	Calculated Property
Pvap	131.92	kPa	463.56	Calculated Property
Pvap	202.63	kPa	484.11	Calculated Property

Similar Compounds

Find more compounds similar to 1-Hepten-4-ol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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