Chemical Properties of 6-Heptenoic acid (CAS 1119-60-4)

InChI

InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h2H,1,3-6H2,(H,8,9)

InChI Key

RWNJOXUVHRXHSD-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

C=CCCCCC(=O)O

Molecular Weight¹

128.17

CAS

1119-60-4

Other Names

• hept-6-enoic acid

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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°	-169.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-327.19	kJ/mol	Joback Calculated Property
ΔfusH°	18.29	kJ/mol	Joback Calculated Property
ΔvapH°	53.93	kJ/mol	Joback Calculated Property
log10WS	-1.71		Crippen Calculated Property
logPoct/wat	1.817		Crippen Calculated Property
McVol	112.630	ml/mol	McGowan Calculated Property
Pc	3488.88	kPa	Joback Calculated Property
Tboil	[496.20; 499.20]	K
Tboil	496.20	K	NIST
Tboil	499.20	K	NIST
Tc	675.50	K	Joback Calculated Property
Tfus	277.64	K	Joback Calculated Property
Vc	0.433	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[247.72; 297.64]	J/mol×K	[502.29; 675.50]
Cp,gas	247.72	J/mol×K	502.29	Joback Calculated Property
Cp,gas	257.03	J/mol×K	531.16	Joback Calculated Property
Cp,gas	265.93	J/mol×K	560.03	Joback Calculated Property
Cp,gas	274.42	J/mol×K	588.90	Joback Calculated Property
Cp,gas	282.53	J/mol×K	617.76	Joback Calculated Property
Cp,gas	290.26	J/mol×K	646.63	Joback Calculated Property
Cp,gas	297.64	J/mol×K	675.50	Joback Calculated Property
η	[0.0001807; 0.0184100]	Pa×s	[277.64; 502.29]
η	0.0184100	Pa×s	277.64	Joback Calculated Property
η	0.0053894	Pa×s	315.08	Joback Calculated Property
η	0.0020481	Pa×s	352.52	Joback Calculated Property
η	0.0009373	Pa×s	389.96	Joback Calculated Property
η	0.0004919	Pa×s	427.41	Joback Calculated Property
η	0.0002864	Pa×s	464.85	Joback Calculated Property
η	0.0001807	Pa×s	502.29	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[381.32; 542.12]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47281e+01
Coefficient B			-4.35246e+03
Coefficient C			-7.99140e+01
Temperature range, min.			381.32
Temperature range, max.			542.12
Pvap	1.33	kPa	381.32	Calculated Property
Pvap	2.99	kPa	399.19	Calculated Property
Pvap	6.16	kPa	417.05	Calculated Property
Pvap	11.80	kPa	434.92	Calculated Property
Pvap	21.23	kPa	452.79	Calculated Property
Pvap	36.20	kPa	470.65	Calculated Property
Pvap	58.92	kPa	488.52	Calculated Property
Pvap	92.05	kPa	506.39	Calculated Property
Pvap	138.76	kPa	524.25	Calculated Property
Pvap	202.63	kPa	542.12	Calculated Property

Similar Compounds

Find more compounds similar to 6-Heptenoic acid.

Sources

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

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