Chemical Properties of 1,2-Heptanediol (CAS 3710-31-4)

InChI

InChI=1S/C7H16O2/c1-2-3-4-5-7(9)6-8/h7-9H,2-6H2,1H3

InChI Key

GCXZDAKFJKCPGK-UHFFFAOYSA-N

Formula

C7H16O2

SMILES

CCCCCC(O)CO

Molecular Weight¹

132.20

CAS

3710-31-4

• 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_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
ΔfG°	-268.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-497.55	kJ/mol	Joback Calculated Property
ΔfusH°	18.54	kJ/mol	Joback Calculated Property
ΔvapH°	64.15	kJ/mol	Joback Calculated Property
log10WS	-1.39		Crippen Calculated Property
logPoct/wat	0.920		Crippen Calculated Property
McVol	121.230	ml/mol	McGowan Calculated Property
Pc	3468.36	kPa	Joback Calculated Property
Inp	[1065.00; 1098.00]
Inp	1065.00		NIST
Inp	1065.00		NIST
Inp	1098.00		NIST
I	[1470.00; 1470.00]
I	1470.00		NIST
I	1470.00		NIST
Tboil	543.48	K	Joback Calculated Property
Tc	703.08	K	Joback Calculated Property
Tfus	275.29	K	Joback Calculated Property
Vc	0.460	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[299.37; 351.20]	J/mol×K	[543.48; 703.08]
Cp,gas	299.37	J/mol×K	543.48	Joback Calculated Property
Cp,gas	308.91	J/mol×K	570.08	Joback Calculated Property
Cp,gas	318.08	J/mol×K	596.68	Joback Calculated Property
Cp,gas	326.88	J/mol×K	623.28	Joback Calculated Property
Cp,gas	335.33	J/mol×K	649.88	Joback Calculated Property
Cp,gas	343.43	J/mol×K	676.48	Joback Calculated Property
Cp,gas	351.20	J/mol×K	703.08	Joback Calculated Property
η	[0.0000567; 0.1642467]	Pa×s	[275.29; 543.48]
η	0.1642467	Pa×s	275.29	Joback Calculated Property
η	0.0172033	Pa×s	319.99	Joback Calculated Property
η	0.0031328	Pa×s	364.69	Joback Calculated Property
η	0.0008275	Pa×s	409.38	Joback Calculated Property
η	0.0002841	Pa×s	454.08	Joback Calculated Property
η	0.0001181	Pa×s	498.78	Joback Calculated Property
η	0.0000567	Pa×s	543.48	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[395.92; 531.65]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.68850e+01
Coefficient B			-5.18952e+03
Coefficient C			-8.32500e+01
Temperature range, min.			395.92
Temperature range, max.			531.65
Pvap	1.33	kPa	395.92	Calculated Property
Pvap	2.86	kPa	411.00	Calculated Property
Pvap	5.74	kPa	426.08	Calculated Property
Pvap	10.87	kPa	441.16	Calculated Property
Pvap	19.53	kPa	456.24	Calculated Property
Pvap	33.53	kPa	471.33	Calculated Property
Pvap	55.30	kPa	486.41	Calculated Property
Pvap	87.97	kPa	501.49	Calculated Property
Pvap	135.48	kPa	516.57	Calculated Property
Pvap	202.68	kPa	531.65	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Heptanediol.

Sources

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

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