Chemical Properties of trans-Verbenol (CAS 1820-09-3)

InChI

InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9+/m1/s1

InChI Key

WONIGEXYPVIKFS-VGMNWLOBSA-N

Formula

C10H16O

SMILES

CC1=CC(O)C2CC1C2(C)C

Molecular Weight¹

152.23

CAS

1820-09-3

Other Names

• (E)-Verbenol
• (-)-trans-Verbenol
• (1«alpha»,2«alpha»,5«alpha»)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol

• 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_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°	5.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-241.65	kJ/mol	Joback Calculated Property
ΔfusH°	16.59	kJ/mol	Joback Calculated Property
ΔvapH°	53.72	kJ/mol	Joback Calculated Property
log10WS	-2.30		Crippen Calculated Property
logPoct/wat	1.969		Crippen Calculated Property
McVol	131.610	ml/mol	McGowan Calculated Property
Pc	3082.99	kPa	Joback Calculated Property
Inp	[1112.00; 1168.00]
Inp	1130.16		NIST
Inp	1133.96		NIST
Inp	1137.97		NIST
Inp	1142.04		NIST
Inp	1146.35		NIST
Inp	1150.76		NIST
Inp	1155.37		NIST
Inp	Outlier 1114.12		NIST
Inp	Outlier 1117.03		NIST
Inp	1120.01		NIST
Inp	1123.20		NIST
Inp	1126.58		NIST
Inp	1147.00		NIST
Inp	1147.00		NIST
Inp	1148.00		NIST
Inp	1145.00		NIST
Inp	1146.00		NIST
Inp	Outlier 1163.00		NIST
Inp	1147.00		NIST
Inp	1141.00		NIST
Inp	1144.00		NIST
Inp	1144.00		NIST
Inp	1144.00		NIST
Inp	1143.00		NIST
Inp	1143.00		NIST
Inp	1144.00		NIST
Inp	1146.00		NIST
Inp	1143.00		NIST
Inp	1144.00		NIST
Inp	1148.00		NIST
Inp	1138.00		NIST
Inp	1145.00		NIST
Inp	1143.00		NIST
Inp	1144.00		NIST
Inp	1144.00		NIST
Inp	Outlier 1162.00		NIST
Inp	1143.00		NIST
Inp	1151.00		NIST
Inp	1140.00		NIST
Inp	1146.00		NIST
Inp	1125.00		NIST
Inp	1129.00		NIST
Inp	1139.00		NIST
Inp	1144.00		NIST
Inp	1127.00		NIST
Inp	1125.00		NIST
Inp	1126.00		NIST
Inp	1140.00		NIST
Inp	1130.00		NIST
Inp	1144.00		NIST
Inp	1146.00		NIST
Inp	1144.00		NIST
Inp	1145.00		NIST
Inp	1143.00		NIST
Inp	1129.00		NIST
Inp	1124.00		NIST
Inp	1145.00		NIST
Inp	Outlier 1117.00		NIST
Inp	1128.00		NIST
Inp	1143.00		NIST
Inp	1144.00		NIST
Inp	1143.00		NIST
Inp	1146.00		NIST
Inp	1149.00		NIST
Inp	1141.00		NIST
Inp	1148.00		NIST
Inp	1140.00		NIST
Inp	1144.00		NIST
Inp	1144.00		NIST
Inp	1124.00		NIST
Inp	1121.00		NIST
Inp	1128.00		NIST
Inp	1139.50		NIST
Inp	1127.00		NIST
Inp	1131.00		NIST
Inp	1144.00		NIST
Inp	1132.00		NIST
Inp	1153.10		NIST
Inp	1144.00		NIST
Inp	1133.00		NIST
Inp	1148.00		NIST
Inp	1144.00		NIST
Inp	1143.00		NIST
Inp	1145.00		NIST
Inp	1121.00		NIST
Inp	1144.00		NIST
Inp	1126.00		NIST
Inp	1136.00		NIST
Inp	1142.00		NIST
Inp	1138.00		NIST
Inp	1142.00		NIST
Inp	1125.00		NIST
Inp	1144.00		NIST
Inp	1145.00		NIST
Inp	1145.00		NIST
Inp	1130.00		NIST
Inp	1130.00		NIST
Inp	1152.00		NIST
Inp	1145.00		NIST
Inp	1136.00		NIST
Inp	1147.00		NIST
Inp	1144.00		NIST
Inp	1145.00		NIST
Inp	Outlier 1112.00		NIST
Inp	1123.00		NIST
Inp	1136.00		NIST
Inp	1144.00		NIST
Inp	1141.00		NIST
Inp	1148.00		NIST
Inp	1125.00		NIST
Inp	1150.00		NIST
Inp	1146.00		NIST
Inp	1147.00		NIST
Inp	1124.00		NIST
Inp	1146.00		NIST
Inp	Outlier 1168.00		NIST
Inp	Outlier 1117.00		NIST
Inp	1126.00		NIST
Inp	1143.00		NIST
Inp	1134.00		NIST
Inp	1150.00		NIST
Inp	1145.00		NIST
Inp	1146.00		NIST
Inp	1148.00		NIST
Inp	1142.00		NIST
Inp	1139.00		NIST
Inp	1124.00		NIST
Inp	1143.00		NIST
Inp	1125.00		NIST
Inp	1141.00		NIST
Inp	1144.00		NIST
Inp	1145.00		NIST
Inp	1140.00		NIST
Inp	1125.00		NIST
Inp	1145.00		NIST
Inp	1122.00		NIST
Inp	1143.00		NIST
Inp	1144.00		NIST
Inp	1148.00		NIST
Inp	1135.00		NIST
Inp	1141.00		NIST
Inp	1146.00		NIST
Inp	1157.00		NIST
Inp	1135.00		NIST
Inp	1146.00		NIST
Inp	1144.00		NIST
Inp	1145.00		NIST
Inp	1152.00		NIST
Inp	Outlier 1114.00		NIST
Inp	Outlier 1114.00		NIST
Inp	1148.00		NIST
Inp	1144.00		NIST
Inp	1145.00		NIST
Inp	1144.00		NIST
Inp	1149.00		NIST
Inp	1148.00		NIST
Inp	1145.00		NIST
Inp	1138.00		NIST
Inp	1145.00		NIST
Inp	1143.00		NIST
Inp	1144.00		NIST
Inp	1145.00		NIST
Inp	1146.00		NIST
Inp	1126.00		NIST
Inp	1144.00		NIST
Inp	Outlier 1114.00		NIST
Inp	1150.00		NIST
Inp	Outlier 1163.00		NIST
Inp	1142.00		NIST
Inp	Outlier 1114.00		NIST
Inp	1138.00		NIST
Inp	Outlier 1114.00		NIST
Inp	1132.00		NIST
Inp	Outlier 1114.00		NIST
Inp	1133.00		NIST
Inp	1149.00		NIST
Inp	Outlier 1114.00		NIST
Inp	1142.00		NIST
Inp	1140.00		NIST
Inp	1147.00		NIST
Inp	1143.00		NIST
Inp	1144.00		NIST
Inp	1138.00		NIST
Inp	1153.10		NIST
I	[1654.00; 1714.00]
I	1673.00		NIST
I	1674.00		NIST
I	1666.00		NIST
I	1673.00		NIST
I	1677.00		NIST
I	1668.00		NIST
I	1664.00		NIST
I	Outlier 1654.00		NIST
I	1672.00		NIST
I	1676.00		NIST
I	1669.00		NIST
I	1675.00		NIST
I	1664.00		NIST
I	1674.00		NIST
I	1680.00		NIST
I	1669.00		NIST
I	1669.00		NIST
I	1665.00		NIST
I	1675.00		NIST
I	1683.00		NIST
I	1671.00		NIST
I	1679.00		NIST
I	1684.00		NIST
I	1690.00		NIST
I	1684.00		NIST
I	1694.00		NIST
I	1691.00		NIST
I	1683.00		NIST
I	1683.00		NIST
I	1690.00		NIST
I	1683.00		NIST
I	1683.00		NIST
I	1683.00		NIST
I	1683.00		NIST
I	1684.00		NIST
I	1683.00		NIST
I	1683.00		NIST
I	Outlier 1714.00		NIST
I	1683.00		NIST
I	1683.00		NIST
I	1683.00		NIST
I	1690.00		NIST
I	1683.00		NIST
I	1691.00		NIST
I	1683.00		NIST
I	1683.00		NIST
I	1683.00		NIST
I	1684.00		NIST
I	1691.00		NIST
I	1683.00		NIST
I	1683.00		NIST
I	1684.00		NIST
I	1683.00		NIST
I	1686.00		NIST
I	1684.00		NIST
I	1684.00		NIST
I	1690.00		NIST
I	1680.00		NIST
I	1673.00		NIST
Tboil	533.17	K	Joback Calculated Property
Tc	729.30	K	Joback Calculated Property
Tfus	324.34	K	Joback Calculated Property
Vc	0.502	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[336.85; 413.40]	J/mol×K	[533.17; 729.30]
Cp,gas	336.85	J/mol×K	533.17	Joback Calculated Property
Cp,gas	351.53	J/mol×K	565.86	Joback Calculated Property
Cp,gas	365.30	J/mol×K	598.55	Joback Calculated Property
Cp,gas	378.26	J/mol×K	631.23	Joback Calculated Property
Cp,gas	390.53	J/mol×K	663.92	Joback Calculated Property
Cp,gas	402.21	J/mol×K	696.61	Joback Calculated Property
Cp,gas	413.40	J/mol×K	729.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-Verbenol.

Sources

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

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